SCHEMBL27490854

SCHEMBL27490854

Cc1cccc2c1c(C(C)OC=O)cn2CCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPM5 Q9NZQ8 15/20 0.38
▸ CREBBP Q92793 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MCL1 Q07820 1/20 0.32
▸ CNR2 P34972 2/20 0.31
▸ CNR1 P21554 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
SCHEMBL27490461 0.82 L3MBTL1 (0.31) TRPM5L3MBTL1
SCHEMBL27474749 0.73 CNR1 (0.46) TRPM5CREBBPMCL1CNR2CNR1
SCHEMBL1223895 0.71 CREBBP (0.57) TRPM5CREBBPCNR1
Ethoxycarbonyl Group SCHEMBL27490855 0.71 CREBBP (0.44) TRPM5CREBBPL3MBTL1MCL1CNR1
SCHEMBL27474220 0.70 MCL1 (0.43) MCL1CNR2CNR1
SCHEMBL27487624 0.68 HTR2A (0.36) CNR2CNR1
SCHEMBL31689011 0.65 CREBBP (0.49) CREBBPL3MBTL1CNR2CNR1
SCHEMBL27528307 0.63 P2RX7 (0.35) CNR2CNR1
SCHEMBL13064359 0.63 TRPM5 (0.47) TRPM5CREBBPMCL1
SCHEMBL3596244 0.63 LMNA (0.60) TRPM5

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
CN-1161334-A Novel substd. guanidine derivs., process for prodn. thereof, and pharmaceutical uses thereof SUMITOMO PHARMA (JP) 1997-10-08 — — CN disclosed
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