SCHEMBL6161994

SCHEMBL6161994

COc1ccc(-c2ccc(C3=CCNCC3)c(C)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.53
HTR2C P28335 5/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
HTR1D P28221 1/20 0.53
MAPK1 P28482 1/20 0.53
BRCA1 P38398 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTR7 P34969 2/20 0.49
QDPR P09417 3/20 0.48
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
MARK3 P27448 1/20 0.46
PRKCI P41743 1/20 0.46
PRKCD Q05655 1/20 0.46

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
SCHEMBL16874873 0.89 HTR6 (0.61) HTR6HTR2CKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL16874840 0.89 HTR6 (0.61) HTR6HTR2CKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6739875 0.84 HTR2C (0.61) HTR6HTR2CKDM4EMEN1ALDH1A1
SCHEMBL6162919 0.83 HTR2C (0.47) HTR6HTR2CHTR7QDPRJAK2
SCHEMBL894220 0.82 QDPR (0.60) HTR6HTR2CKDM4EMEN1ALDH1A1
SCHEMBL6586935 0.80 QDPR (0.50) HTR6HTR2CKDM4EMEN1ALDH1A1
SCHEMBL5542320 0.76 HTR2C (0.49) HTR6HTR2CKDM4EMEN1ALDH1A1
SCHEMBL27025891 0.76 HTR2C (0.44) HTR6HTR2CHTR7QDPRTGFBR1
Hydrochloric Acid SCHEMBL16874680 0.75 QDPR (0.52) HTR6HTR2CKDM4EMEN1ALDH1A1
SCHEMBL27007677 0.75 HTR2C (0.47) HTR2CKDM4EALDH1A1MAPTQDPR

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-0755923-B1 Ameliorant or remedy for symptoms caused by Ischemic diseases and Phenylpiperidine compounds useful therefor DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed