SCHEMBL29079061

SCHEMBL29079061

O=C1CCC2(CC1)C(=O)N(C1CC1)c1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
TNKS O95271 1/20 0.41
OPRL1 P41146 12/20 0.40
OPRM1 P35372 7/20 0.40
OPRK1 P41145 6/20 0.40
NOTUM Q6P988 2/20 0.36
EGLN1 Q9GZT9 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
SCHEMBL30574134 0.86 OPRL1 (0.47) TNKSOPRL1OPRM1OPRK1
SCHEMBL30447595 0.81 TNKS (0.42) MEN1KMT2ATNKSOPRL1OPRM1
SCHEMBL30448104 0.81 TNKS (0.42) MEN1KMT2ATNKSOPRL1OPRM1
SCHEMBL10063517 0.78 OPRL1 (0.41) TNKSOPRL1OPRM1OPRK1
SCHEMBL30898629 0.76 MEN1 (0.46) MEN1CYP2C9KMT2ATNKSOPRL1
SCHEMBL20066137 0.76 OPRM1 (0.54) MEN1CYP2C9KMT2AOPRL1OPRM1
SCHEMBL24204284 0.75 OPRL1 (0.65) OPRL1OPRM1OPRK1
SCHEMBL28050723 0.74 TNKS (0.53) MEN1CYP2C9KMT2ATNKSNOTUM
SCHEMBL30666913 0.73 CNR1 (0.49) MEN1CYP2C9KMT2AOPRL1OPRM1
SCHEMBL25036306 0.72 CRBN (0.56) OPRM1

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-116640094-A Compounds as PRMT1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-08-25 CN disclosed