SCHEMBL9818772

SCHEMBL9818772

CNC1(c2ccc(N(C)C)cc2)CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.46
OPRL1 P41146 7/20 0.46
OPRK1 P41145 1/20 0.46
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9350018 0.98 OPRL1 (0.47) OPRM1OPRL1OPRK1ALDH1A1TSHR
SCHEMBL11161896 0.78 ALDH1A1 (0.56) ALDH1A1TSHRALOX15HSD17B10HDAC3
SCHEMBL6502410 0.77 OPRM1 (0.41) OPRM1OPRL1OPRK1HDAC1
SCHEMBL8284914 0.77 SLC6A3 (0.56) OPRM1OPRL1OPRK1HDAC3HDAC1
SCHEMBL3663027 0.77 SLC6A3 (0.56) OPRM1OPRL1OPRK1
SCHEMBL294762 0.76 OPRM1 (0.61) OPRM1OPRL1OPRK1
SCHEMBL8353019 0.76 OPRM1 (0.43) OPRM1OPRL1OPRK1HDAC3HDAC1
Hydrochloric Acid SCHEMBL27754809 0.76 SLC6A3 (0.54) OPRM1OPRL1OPRK1ALDH1A1TSHR
SCHEMBL6501848 0.75 OPRM1 (0.42) OPRM1OPRL1OPRK1ALDH1A1HDAC1
Hydrochloric Acid SCHEMBL28148666 0.75 OPRM1 (0.59) OPRM1OPRL1OPRK1

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-5015644-A Antihyperlipidemic and antiatherosclerotic urea and carbamate compounds WARNER-LAMBERT COMPANY (US) 1991-05-14 US disclosed