SCHEMBL5555958

SCHEMBL5555958

c1ccc(CNC2CCCNC2c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.64
CYP2D6 P10635 2/20 0.55

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
SCHEMBL9294678 1.00 TACR1 (0.64) TACR1CYP2D6
SCHEMBL9034619 1.00 TACR1 (0.64) TACR1CYP2D6
SCHEMBL9034624 1.00 TACR1 (0.64) TACR1CYP2D6
SCHEMBL9294139 1.00 TACR1 (0.64) TACR1CYP2D6
Hydrochloric Acid SCHEMBL9287664 0.98 TACR1 (0.63) TACR1CYP2D6
SCHEMBL9294460 0.92 TACR1 (0.56) TACR1CYP2D6
SCHEMBL9294462 0.92 TACR1 (0.56) TACR1CYP2D6
SCHEMBL9294456 0.92 TACR1 (0.56) TACR1CYP2D6
SCHEMBL4939417 0.91 KDM1A (0.54) TACR1CYP2D6
SCHEMBL4939411 0.91 KDM1A (0.54) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829539-A2 A method for treating tension-type headache HEADEXPLORER ApS (DK) 2007-09-05 EP claimed
EP-1011656-A2 A METHOD FOR TREATING TENSION-TYPE HEADACHE Head Explorer ApS (DK) 2000-06-28 EP claimed
WO-1998019674-A2 A METHOD FOR TREATING TENSION-TYPE HEADACHE HEAD EXPLORER APS (DK) 1998-05-14 WO claimed
EP-1829539-A2 A method for treating tension-type headache HEADEXPLORER ApS (DK) 2007-09-05 EP disclosed
US-6436961-B1 SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES PFIZER INC 2002-08-20 US disclosed
US-6436961-B1 SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES PFIZER INC 2002-08-20 US disclosed
EP-1132082-A1 Use of substances capable of blocking the production of glutamate for treating tension-type headache Head Explorer ApS (DK) 2001-09-12 EP disclosed
EP-1011656-A2 A METHOD FOR TREATING TENSION-TYPE HEADACHE Head Explorer ApS (DK) 2000-06-28 EP disclosed
US-5919803-A TACHYKININ ANTAGONIST GLAXO GROUP LIMITED (GB) 1999-07-06 US disclosed
WO-1998019674-A2 A METHOD FOR TREATING TENSION-TYPE HEADACHE HEAD EXPLORER APS (DK) 1998-05-14 WO disclosed
US-5688804-A 3-Benzylamino-2-phenyl-piperidine derivatives as substance P receptor antagonists PFIZER INC. (US) 1997-11-18 US disclosed
EP-0700384-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER (US) 1996-03-13 EP disclosed
EP-0700384-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER (US) 1996-03-13 EP disclosed
WO-1994027966-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER INC. (US) 1994-12-08 WO disclosed
WO-1994027966-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER INC. (US) 1994-12-08 WO disclosed
EP-0436334-B1 3-Aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER (US) 1994-12-07 EP disclosed
US-5332817-A 3-aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER INC. (US) 1994-07-26 US disclosed
US-5232929-A 3-aminopiperidine derivatives and related nitrogen containing heterocycles and pharmaceutical compositions and use PFIZER INC. (US) 1993-08-03 US disclosed
WO-1991009844-A1 SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1991-07-11 WO disclosed
EP-0436334-A2 3-Aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER INC. (US) 1991-07-10 EP disclosed