SCHEMBL9051909

SCHEMBL9051909

CCCC(=O)c1ccc(N2CCC(O)(c3cccc(OC)c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GRIN2B Q13224 1/20 0.48
DRD4 P21917 3/20 0.47
DRD2 P14416 1/20 0.47
HTR1A P08908 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44
SOD1 P00441 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
SCHEMBL9052266 0.87 MEN1 (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2HTR1A
SCHEMBL9052260 0.86 OPRM1 (0.46) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL9055948 0.85 DRD2 (0.51) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL9053424 0.85 DRD2 (0.44) ALDH1A1KMT2ASMN1; SMN2DRD2LMNA
SCHEMBL9053432 0.85 DRD2 (0.44) ALDH1A1OPRM1OPRK1OPRL1SMN1; SMN2
SCHEMBL9051376 0.85 DRD2 (0.59) DRD4DRD2HTR1A
SCHEMBL8986025 0.84 DRD2 (0.56) OPRM1OPRD1OPRK1OPRL1SMN1; SMN2
SCHEMBL9053069 0.84 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2DRD2
SCHEMBL9053341 0.82 ABCB11 (0.62) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL9053118 0.81 HTR1A (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2DRD2

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
WO-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed