SCHEMBL11604012

SCHEMBL11604012

CCCOC1(c2ccccc2)CCN(CC(C)Nc2ccccc2C(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.47
▸ OPRD1 P41143 6/20 0.47
▸ OPRK1 P41145 6/20 0.47
▸ OPRL1 P41146 2/20 0.47
▸ ABCB1 P08183 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL11455144 0.90 OPRD1 (0.43) OPRM1OPRD1OPRK1OPRL1ABCB1
SCHEMBL11465183 0.90 OPRD1 (0.43) OPRM1OPRD1OPRK1OPRL1ABCB1
SCHEMBL11447955 0.89 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11457668 0.86 ABCB1 (0.39) OPRM1OPRD1OPRK1ABCB1ALDH1A1
SCHEMBL11446372 0.84 OPRK1 (0.44) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11447147 0.82 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL11446213 0.77 DRD3 (0.41) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL11454600 0.76 USP2 (0.47) ALDH1A1KDM4E
SCHEMBL11465170 0.75 MEN1 (0.51) ABCB1ALDH1A1KDM4ECYP2D6
SCHEMBL11446599 0.75 ADRA1D (0.51) ALDH1A1KDM4E

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-4085107-A ANALGESICS PENNWALT CORPORATION (US) 1978-04-18 — — 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
Send feedback