SCHEMBL6162517

SCHEMBL6162517

Cc1c(C2=CCNCC2)cccc1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.52
HTR2C P28335 10/20 0.49
SIGMAR1 Q99720 2/20 0.46
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR6 P50406 2/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
QDPR P09417 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
DRD2 P14416 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KHK P50053 1/20 0.41

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
SCHEMBL24727966 0.82 HTR2C (0.50) CD274HTR2CSIGMAR1HTR6HTR2A
Hydrochloric Acid SCHEMBL730625 0.81 HTR2C (0.67) HTR2CSIGMAR1HTR6HTR2AHTR7
SCHEMBL532892 0.79 HTR2C (0.66) HTR2CSIGMAR1HTR6HTR2AHTR7
SCHEMBL7566975 0.79 HTR2C (0.53) HTR2CSIGMAR1HTR6HTR2AQDPR
SCHEMBL6162919 0.77 HTR2C (0.47) HTR2CSIGMAR1HTR6HTR2AHTR7
SCHEMBL8276239 0.73 HTR6 (0.55) HTR2CSIGMAR1HTR6HTR2AHTR7
SCHEMBL3774531 0.72 CCNT1 (0.56) HTR2CSIGMAR1HTR6QDPRKDM4E
Hydrochloric Acid SCHEMBL3690362 0.72 HTR2C (0.61) HTR2CSIGMAR1HTR6QDPRKDM4E
SCHEMBL2269949 0.72 HTR2C (0.61) HTR2CSIGMAR1HTR6QDPRKDM4E
Hydrochloric Acid SCHEMBL29882300 0.72 HTR2C (0.61) HTR2CSIGMAR1HTR6QDPRKDM4E

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 2 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