SCHEMBL21983723

SCHEMBL21983723

COC1CC(n2c(C)cc3ccc(C)cc32)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.35
▸ CHRM1 P11229 3/20 0.35
▸ CHRM3 P20309 3/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ MAPT P10636 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2A6 P11509 2/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ HSD11B1 P28845 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
SCHEMBL24943916 0.84 HSD11B1 (0.36) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL24630640 0.83 HSD11B1 (0.44) HSD11B1
SCHEMBL21983714 0.80 CYP11B2 (0.43) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL24159543 0.79 MCHR1 (0.32) MAPTRXFP1CYP1A2CYP2A6
SCHEMBL21983720 0.79 MCHR1 (0.32) MAPTRXFP1CYP1A2CYP2A6
SCHEMBL21983915 0.78 PRKACA (0.42) MAPTRXFP1CYP1A2CYP2A6CYP11B2
SCHEMBL21983715 0.76 CYP2A6 (0.34) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL21983718 0.74 IDH1 (0.33) MAPTRXFP1CYP1A2CYP2A6CYP11B2
SCHEMBL20116278 0.74 CHRM2 (0.43) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL21983722 0.72 HTR6 (0.34) CHRM2CHRM1CHRM3CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 — — EP disclosed
EP-3932404-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS Beijing Tide Pharmaceutical Co., Ltd. (CN) 2022-01-05 — — EP disclosed
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 — — EP disclosed
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