SCHEMBL10469682

SCHEMBL10469682

c1cc2c3c(c1)CCC3CNCC2

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.51
HTR2B P41595 5/20 0.44
HTR2A P28223 4/20 0.44
TAAR1 Q96RJ0 1/20 0.41
PNMT P11086 1/20 0.41
CD44 P16070 1/20 0.41
MAOB P27338 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
SCHEMBL10469000 0.89 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL25381760 0.79 PDPK1 (0.40)
SCHEMBL29960396 0.78 HTR2C (0.45) HTR2CHTR2BHTR2ATAAR1PNMT
Hydrochloric Acid SCHEMBL29959813 0.77 HTR2C (0.42) HTR2CHTR2BHTR2ATAAR1PNMT
SCHEMBL16353671 0.77 HTR2C (0.47) HTR2CHTR2BHTR2ATAAR1PNMT
Hydrochloric Acid SCHEMBL29959957 0.76 HTR2C (0.44) HTR2CHTR2BHTR2ATAAR1PNMT
Hydrochloric Acid SCHEMBL16353822 0.75 HTR2C (0.46) HTR2CHTR2BHTR2ATAAR1PNMT
SCHEMBL29370750 0.74 HTR2A (0.42) HTR2ATAAR1
SCHEMBL16353840 0.74 HTR2C (0.45) HTR2CHTR2BHTR2ATAAR1PNMT
SCHEMBL16353834 0.74 HTR2C (0.45) HTR2CHTR2BHTR2ATAAR1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4957914-A ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS SYNTEX (U.S.A.) INC. (US) 1990-09-18 US disclosed