SCHEMBL6970002

SCHEMBL6970002

O=C(On1ncc(CCN2CCC(=Cc3ccccc3F)CC2)c1-c1ccc(F)cc1)C(=O)On1ncc(CCN2CCC(=Cc3ccccc3F)CC2)c1-c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.34
HTR2C P28335 8/20 0.34
HTR1A P08908 1/20 0.33
OGA O60502 2/20 0.33
CNR1 P21554 1/20 0.33
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CACNA1G O43497 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
GRM2 Q14416 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD2 P14416 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL6978399 0.80 ALDH1A1 (0.35) HTR2AHTR2CCNR1HTR7HTR6
Oxalic Acid SCHEMBL6969996 0.76 KMT2A (0.46) HTR2AALDH1A1MAPTHRH3KMT2A
Oxalic Acid SCHEMBL6978397 0.76 PRCP (0.37) HTR2AHTR2CCNR1HTR7HTR6
Hydrochloric Acid SCHEMBL6976894 0.73 HRH3 (0.36) HTR2AHTR1ACNR1ALDH1A1MAPT
SCHEMBL6983235 0.72 ALDH1A1 (0.39) HTR2AHTR1ACNR1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6982867 0.70 KDM4E (0.44) CNR1ALDH1A1MAPTHRH3KCNH2
Hydrochloric Acid SCHEMBL6984682 0.68 DRD2 (0.58) HTR2AHTR2CHTR1AHTR7HRH3
SCHEMBL6975606 0.67 HTR1A (0.38) HTR2AHTR1AHTR7ALDH1A1MAPT
SCHEMBL6975602 0.67 HTR1A (0.38) HTR2AHTR1AHTR7ALDH1A1MAPT
SCHEMBL11037164 0.64 KDM4E (0.43) HTR2AHTR1AHTR7ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1065205-B1 HETEROAROMATIC DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-05-28 EP disclosed
EP-1207159-A1 Aromaheterocyclic derivatives as dopamine D4 receptor antagonists TAISHO PHARMACEUTICAL CO. LTD (JP) 2002-05-22 EP disclosed
US-6291467-B1 DOPAMINE D4 RECEPTOR ANTAGONIST COMPOUND HAVING AN ANTIPSYCHOTIC ACTION WITHOUT CAUSING EXTRAPYRAMIDAL DISEASES. TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed