SCHEMBL6162919

SCHEMBL6162919

Cc1cc(-c2ccc(F)cc2)ccc1C1=CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.47
HTR6 P50406 4/20 0.47
HTR7 P34969 2/20 0.47
HTR2A P28223 1/20 0.47
QDPR P09417 3/20 0.44
SIGMAR1 Q99720 2/20 0.44
KHK P50053 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
MARK3 P27448 1/20 0.43
PRKCI P41743 1/20 0.43
PRKCD Q05655 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
BRSK1 Q8TDC3 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
DRD2 P14416 1/20 0.43
PDE3B Q13370 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
SCHEMBL8276239 0.88 HTR6 (0.55) HTR2CHTR6HTR7HTR2ASIGMAR1
SCHEMBL6161994 0.83 HTR6 (0.53) HTR2CHTR6HTR7QDPRSIGMAR1
Hydrochloric Acid SCHEMBL730625 0.81 HTR2C (0.67) HTR2CHTR6HTR7HTR2AQDPR
SCHEMBL532892 0.79 HTR2C (0.66) HTR2CHTR6HTR7HTR2AQDPR
SCHEMBL5542320 0.79 HTR2C (0.49) HTR2CHTR6HTR2AQDPRSIGMAR1
SCHEMBL27025891 0.78 HTR2C (0.44) HTR2CHTR6HTR7QDPRSIGMAR1
SCHEMBL6162517 0.77 CD274 (0.52) HTR2CHTR6HTR7HTR2AQDPR
SCHEMBL6589127 0.77 SIGMAR1 (0.50) HTR2CHTR6HTR7HTR2AQDPR
SCHEMBL27007677 0.77 HTR2C (0.47) HTR2CQDPRSIGMAR1KHKPDE3B
SCHEMBL28506378 0.76 HTR2C (0.60) HTR2CHTR6HTR7HTR2AQDPR

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