SCHEMBL29139005

SCHEMBL29139005

CCCCC1(c2ccccc2)N=CC=N1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.44
OPRL1 P41146 4/20 0.44
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MMP3 P08254 2/20 0.40
ELANE P08246 1/20 0.38
LTA4H P09960 2/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL5279220 0.80 OPRM1 (0.44) OPRM1OPRL1MMP2MMP9MMP3
SCHEMBL18788061 0.79 TSHR (0.37) OPRM1OPRL1MMP2MMP9MMP3
SCHEMBL5280463 0.74 MMP2 (0.46) OPRM1OPRL1MMP2MMP9MMP3
SCHEMBL5276415 0.73 MMP2 (0.49) OPRM1OPRL1MMP2MMP9MMP3
SCHEMBL27874183 0.69 OPRM1 (0.53) OPRM1OPRL1MMP2MMP9MMP3
SCHEMBL4795297 0.68 MAOA (0.40) OPRM1OPRL1TSHROPRK1
SCHEMBL5275530 0.67 KDM4E (0.35) OPRM1OPRL1MMP2MMP9MMP3
SCHEMBL9468235 0.67 MMP2 (0.42) OPRM1OPRL1MMP2MMP9MMP3
SCHEMBL19809441 0.67 OPRM1 (0.42) OPRM1OPRL1MMP2MMP9MMP3
SCHEMBL11140706 0.67 OPRM1 (0.46) OPRM1OPRL1MMP2MMP9MMP3

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
CN-117080543-A Polyelectrolyte composition and preparation method thereof 科腾聚合物荷兰有限责任公司 2023-11-17 CN claimed
CN-117080543-A Polyelectrolyte composition and preparation method thereof 科腾聚合物荷兰有限责任公司 2023-11-17 CN disclosed