SCHEMBL21572829

SCHEMBL21572829

CC(N)CCCC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
OPRM1 P35372 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
METAP1 P53582 1/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
METAP2 P50579 1/20 0.34
TP53 P04637 1/20 0.33
OPRK1 P41145 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
SCHEMBL24224169 1.00 CYP1A2 (0.43) CYP1A2OPRM1SIGMAR1METAP1MAPT
SCHEMBL24831947 0.95 CYP1A2 (0.48) CYP1A2OPRM1SIGMAR1METAP1MAPT
SCHEMBL14105986 0.93 CYP1A2 (0.52) CYP1A2OPRM1SIGMAR1METAP1METAP2
SCHEMBL23259992 0.93 CYP1A2 (0.52) CYP1A2OPRM1SIGMAR1METAP1METAP2
SCHEMBL1678720 0.91
SCHEMBL9376498 0.87 SIGMAR1 (0.52) CYP1A2OPRM1SIGMAR1METAP1METAP2
SCHEMBL11982905 0.86
SCHEMBL1679067 0.84 OPRM1 (0.48) CYP1A2OPRM1SIGMAR1METAP1MAPT
SCHEMBL15899469 0.83 SIGMAR1 (0.44) CYP1A2SIGMAR1METAP1MAPT
SCHEMBL14289237 0.83 CYP1A2 (0.40) CYP1A2SIGMAR1METAP1MAPTMETAP2

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-10483170-B2 Method of semiconductor integrated circuit fabrication TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) 2019-11-19 US disclosed