SCHEMBL6555029

SCHEMBL6555029

CC(C)Nc1ccc(OC(C)C)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.76
CYP2D6 P10635 3/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7480501 0.99 TACR1 (0.74) TACR1CYP2D6
SCHEMBL6556858 0.92 TACR1 (0.76) TACR1CYP2D6
Hydrochloric Acid SCHEMBL7474243 0.91 TACR1 (0.74) TACR1CYP2D6
SCHEMBL6554450 0.91 TACR1 (0.74) TACR1CYP2D6
Hydrochloric Acid SCHEMBL7475900 0.90 TACR1 (0.73) TACR1CYP2D6
SCHEMBL6554854 0.90 TACR1 (0.72) TACR1CYP2D6
Hydrochloric Acid SCHEMBL7477227 0.89 TACR1 (0.71) TACR1CYP2D6
SCHEMBL6554849 0.88 TACR1 (0.69) TACR1CYP2D6
Hydrochloric Acid SCHEMBL7477221 0.87 TACR1 (0.68) TACR1CYP2D6
SCHEMBL22272194 0.87 TACR1 (0.77) TACR1CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721778-B1 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER (US) 2004-03-03 EP claimed
JP-2003523941-A 2003-08-12 JP claimed
EP-1209157-A1 Heteroarylamino and heteroarylsulfonamido substituted 3-benzylaminomethyl piperidines and related compounds PFIZER INC. (US) 2002-05-29 EP claimed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP claimed
US-6194436-B1 THERAPY FOR LUNG CANCER PFIZER INC. 2001-02-27 US claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
EP-0854720-B1 NK-1 RECEPTOR ANTAGONISTS FOR PREVENTION OF NEUROGENIC INFLAMMATION IN GENE THERAPY PFIZER (US) 1999-08-04 EP claimed
EP-0790825-A1 NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EYE DISORDERS PFIZER INC. (US) 1997-08-27 EP claimed
EP-0773026-A2 NK-1 receptor antagonists for the treatment of cancer PFIZER INC. (US) 1997-05-14 EP claimed
US-5576317-A NK-1 receptor antagonists and 5HT3 receptor antagonists for the treatment of emesis PFIZER INC. (US) 1996-11-19 US claimed
EP-0721778-A2 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER INC. (US) 1996-07-17 EP claimed
EP-0715855-A2 NK-1 receptor antagonists and 5HT3 receptor antagonists for the treatment of emesis PFIZER INC. (US) 1996-06-12 EP claimed
WO-1996014845-A1 NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EYE DISORDERS PFIZER INC. (US) 1996-05-23 WO claimed
EP-0659409-A2 Substance 1 antagonists for the inhibition of angiogenesis PFIZER INC. (US) 1995-06-28 EP claimed
EP-0655246-A1 Substance P antagonists for the treatment of disorders caused by helicobacter pylori or other spiral urease-positive gram-negative bacteria PFIZER INC. (US) 1995-05-31 EP claimed
EP-0653208-A2 Pharmaceutical agents for treatment or prevention of sunburn PFIZER INC. (US) 1995-05-17 EP claimed
WO-1995007908-A1 HETEROARYLAMINO AND HETEROARYLSULFONAMIDO SUBSTITUTED 3-BENZYLAMINOMETHYL PIPERIDINES AND RELATED COMPOUNDS PFIZER INC. (US) 1995-03-23 WO claimed
EP-0721778-B1 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER (US) 2004-03-03 EP disclosed
EP-0653208-A2 Pharmaceutical agents for treatment or prevention of sunburn PFIZER INC. (US) 1995-05-17 EP disclosed
WO-1995007908-A1 HETEROARYLAMINO AND HETEROARYLSULFONAMIDO SUBSTITUTED 3-BENZYLAMINOMETHYL PIPERIDINES AND RELATED COMPOUNDS PFIZER INC. (US) 1995-03-23 WO disclosed