SCHEMBL11446712

SCHEMBL11446712

COc1ccc(NCCN2CCC(c3ccccc3)CC2)c(C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 1/20 0.50
▸ APP P05067 1/20 0.50
▸ OPRM1 P35372 1/20 0.49
▸ CARM1 Q86X55 1/20 0.48
▸ PRMT6 Q96LA8 1/20 0.48
▸ MAOB P27338 2/20 0.47
▸ MAOA P21397 1/20 0.47
▸ DRD2 P14416 2/20 0.47
▸ SLC18A3 Q16572 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ MCHR1 Q99705 1/20 0.44
▸ CHRM4 P08173 2/20 0.44
▸ CCR5 P51681 1/20 0.44

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
SCHEMBL11454403 0.88 CARM1 (0.49) DRD3CARM1PRMT6MAOBMAOA
SCHEMBL11446735 0.86 KMT2A (0.49) —
SCHEMBL11454661 0.85 CARM1 (0.49) DRD3CARM1PRMT6MAOBMAOA
SCHEMBL11465879 0.84 CARM1 (0.54) DRD3CARM1PRMT6DRD2SLC18A3
SCHEMBL11455011 0.84 DRD4 (0.58) DRD3DRD2SIGMAR1
SCHEMBL11454487 0.81 MEN1 (0.48) DRD3OPRM1DRD2
SCHEMBL11446412 0.79 HTR1A (0.59) DRD2
SCHEMBL11466052 0.77 OPRM1 (0.43) DRD3OPRM1DRD2
SCHEMBL11446001 0.76 GFER (0.61) DRD3DRD2SIGMAR1
SCHEMBL11447143 0.76 CARM1 (0.59) DRD3OPRM1CARM1PRMT6DRD2

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
US-4205173-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1980-05-27 — — US disclosed
US-4060526-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1977-11-29 — — US disclosed
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