SCHEMBL7585550

SCHEMBL7585550

CCN1CCNCC1c1ccc(C#N)cc1.COc1ccc2cc1-2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.47
USP30 Q70CQ3 1/20 0.39
CFB P00751 1/20 0.39
NAAA Q02083 1/20 0.38
PDE4B Q07343 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HTR7 P34969 1/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
KIT P10721 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
TNIK Q9UKE5 2/20 0.36

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
SCHEMBL7583440 0.88 HTR2C (0.38) KDM1AHTR2AHTR2CHTR2BHTR7
SCHEMBL7588002 0.88 HTR2C (0.40) NAAAPDE4BHTR2AHTR2CHTR2B
SCHEMBL7583723 0.86 NAAA (0.37) KDM1ACFBNAAAPDE4BHTR2A
SCHEMBL7586732 0.86 HTR2C (0.37) NAAAPDE4BHTR2AHTR2CHTR2B
SCHEMBL7591745 0.85 HTR2C (0.39) HTR2AHTR2CHTR2BHTR7
SCHEMBL7589890 0.85 KMT2A (0.41) HTR2AHTR2CHTR2B
SCHEMBL7583638 0.84 DRD2 (0.44)
SCHEMBL7582903 0.82 DRD2 (0.43) HTR2AHTR2CHTR2B
SCHEMBL7587283 0.81 DRD2 (0.42) HRH3
SCHEMBL5240098 0.79 PDE4B (0.43) PDE4BHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP claimed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP claimed
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP disclosed
US-6281214-B1 USEFUL FOR TREATING AND AMELIORATING MENTAL DISORDERS EISAI CO., LTD (JP) 2001-08-28 US disclosed
US-5849912-A Biphenyl derivatives EISAI CO., LTD. (JP) 1998-12-15 US disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed