SCHEMBL11055845

SCHEMBL11055845

CCCCN1CCc2ccccc2C1NC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.53
OPRK1 P41145 2/20 0.53
HDAC8 Q9BY41 6/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC3 O15379 4/20 0.45
NCOR2 Q9Y618 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
XIAP P98170 1/20 0.41
PRCP P42785 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
HTR1A P08908 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL11051207 0.93 HTR1A (0.46) OPRM1OPRK1HDAC8HDAC1HDAC2
SCHEMBL9387516 0.89 OPRM1 (0.57) OPRM1OPRK1HDAC8HDAC1HDAC2
SCHEMBL9387259 0.81 OPRM1 (0.48) OPRM1OPRK1HDAC8HDAC1HDAC2
SCHEMBL9599601 0.73 OPRM1 (0.51) OPRM1OPRK1HDAC8HDAC1HDAC2
SCHEMBL28851671 0.71 CYP2D6 (0.47) OPRM1OPRK1HDAC8HDAC1HDAC2
SCHEMBL5527596 0.71 OPRM1 (0.48) OPRM1OPRK1HDAC8HDAC1HDAC2
SCHEMBL9541988 0.70 OPRM1 (0.53) OPRM1OPRK1HDAC8HDAC1HDAC2
SCHEMBL20788100 0.70 OPRM1 (1.00) OPRM1OPRK1L3MBTL1OPRD1
SCHEMBL29159488 0.69 OPRM1 (0.54) OPRM1OPRK1HDAC8HDAC1HDAC2
SCHEMBL11053763 0.68 MTNR1A (0.53)

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-4466967-A NONTOXIC INSECTICIDES ROHM AND HAAS COMPANY (US) 1984-08-21 US disclosed
US-4419360-A UREA OR THIOUREA DERIVATIVES ROHM AND HAAS COMPANY (US) 1983-12-06 US disclosed