SCHEMBL11263563

SCHEMBL11263563

CC1SCCCNc2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
F12 P00748 8/20 0.31
F2 P00734 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
Hydrochloric Acid SCHEMBL11267162 0.98 HTR2C (0.38) HTR2CHTR2ACA1CA2CHRNB2
SCHEMBL11275332 0.83 MAPT (0.36) HTR2CCA1CA2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL11273176 0.81 MAPT (0.35) HTR2CCA1CA2CHRNB2CHRNA4
SCHEMBL11260229 0.81 HTR2A (0.39) HTR2CHTR2ACA1CA2MAPT
SCHEMBL11276985 0.81 CA1 (0.34) CA1CA2
SCHEMBL11262097 0.81 HTR2C (0.39) HTR2CHTR2ACA1CA2CHRNB2
SCHEMBL11273824 0.81 HTR2A (0.43) HTR2CHTR2ACA1CA2CHRNB2
Hydrochloric Acid SCHEMBL11269902 0.80 HTR2C (0.38) HTR2CHTR2ACA1CA2CHRNB2
Hydrochloric Acid SCHEMBL11275784 0.80 CA1 (0.33) CA1CA2MAPTALDH1A1
Hydrochloric Acid SCHEMBL11270222 0.80 HTR2A (0.38) HTR2CHTR2ACA1CA2MAPT

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
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US claimed
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US disclosed