SCHEMBL1027242

SCHEMBL1027242

C=C(C)C[C@@](O)(CNCCc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
MGLL Q99685 1/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
OPRM1 P35372 2/20 0.37
DRD3 P35462 2/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL1902599 0.76 SMN1; SMN2 (0.43) SIGMAR1OPRM1DRD3SMN1; SMN2MEN1
SCHEMBL9954703 0.74 DRD2 (0.44) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL11055846 0.73 CYP2C19 (0.48) TAAR1SMN1; SMN2MEN1KMT2A
SCHEMBL1850432 0.73 DRD2 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL992024 0.73 CYP2C19 (0.33) OPRM1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL117417 0.71 SMN1; SMN2 (0.40) SIGMAR1OPRM1DRD3MAPTSMN1; SMN2
SCHEMBL11922655 0.70 CYP2C19 (0.39) TAAR1SIGMAR1SMN1; SMN2MEN1KMT2A
SCHEMBL18380911 0.70 CYP2C19 (0.41) TAAR1SMN1; SMN2
SCHEMBL3192627 0.69 SIGMAR1 (0.39) SIGMAR1OPRM1DRD3MAPTSMN1; SMN2
SCHEMBL9955077 0.69 POLB (0.46) PLAAT3PLAAT5PLAAT2PLAAT4MGLL

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
EP-2274287-A1 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009117109-A1 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-24 WO disclosed