SCHEMBL27896893

SCHEMBL27896893

CCCC(=O)OC1(c2ccc(Br)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 11/20 0.38
▸ DRD2 P14416 10/20 0.38
▸ DRD4 P21917 10/20 0.38
▸ OPRM1 P35372 4/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ OPRD1 P41143 3/20 0.37
▸ OPRK1 P41145 3/20 0.37
▸ HPGD P15428 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL11553511 0.78 DRD2 (0.38) DRD3DRD2DRD4HDAC1
SCHEMBL4697560 0.76 CA1 (0.38) OPRM1OPRL1OPRD1OPRK1HDAC1
SCHEMBL25475291 0.76 MME (0.38) DRD3DRD2DRD4OPRM1
SCHEMBL2720401 0.75 CA1 (0.37) HPGDHDAC1
SCHEMBL24944598 0.75 OPRM1 (0.51) DRD3OPRM1OPRL1OPRD1OPRK1
SCHEMBL16908880 0.74 FPR2 (0.40) OPRM1OPRD1HPGDHDAC1
SCHEMBL27970983 0.72 ALDH1A1 (0.39) DRD3DRD2DRD4OPRM1OPRD1
SCHEMBL17674529 0.72 KMT2A (0.45) HDAC1
SCHEMBL25475391 0.72 MME (0.39) DRD2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL29704406 0.72 DRD3 (0.58) DRD3DRD2DRD4OPRM1OPRD1

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-102770415-A Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS INC 2012-11-07 — — CN disclosed
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