SCHEMBL7747502

SCHEMBL7747502

O=C1C[CH]N(C2CCN(Cc3ccccc3)CC2)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 10/20 0.53
▸ CHRM2 P08172 9/20 0.53
▸ DRD2 P14416 3/20 0.52
▸ DRD4 P21917 3/20 0.52
▸ DRD3 P35462 3/20 0.52
▸ OPRL1 P41146 3/20 0.51
▸ OPRM1 P35372 2/20 0.51
▸ OPRK1 P41145 2/20 0.51
▸ DDB1 Q16531 1/20 0.49
▸ CRBN Q96SW2 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL7749282 0.82 CHRM3 (0.54) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL31437068 0.79 CHRM3 (0.61) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL14450288 0.77 OPRL1 (0.64) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL3958334 0.74 OPRL1 (0.51) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL18845203 0.73 ACHE (0.57) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL7747497 0.72 DDB1 (0.56) DRD2DRD4DRD3DDB1CRBN
SCHEMBL3075361 0.72 OPRL1 (0.66) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL3063295 0.71 CHRM3 (0.59) CHRM3CHRM2DRD2DRD4DRD3
SCHEMBL4257757 0.71 ACHE (0.69) DRD2DRD4DRD3ACHE
SCHEMBL2395111 0.71 RECQL (0.62) DRD2DRD4DRD3ACHE

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
WO-2001027087-A2 PROCESS FOR MAKING BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/DIHYDROTHIOURACILS THE PROCTER & GAMBLE COMPANY (US) 2001-04-19 — — WO disclosed
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