SCHEMBL9053033

SCHEMBL9053033

CCC(=O)c1ccc(N2CCC(O)(Cc3ccccc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
NR3C1 P04150 1/20 0.46
AVPR1A P37288 4/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRIN2B Q13224 5/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
AR P10275 1/20 0.43
AVPR1B P47901 1/20 0.43

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
SCHEMBL9052425 0.90 HPGD (0.47) OPRM1OPRD1OPRK1OPRL1NR3C1
SCHEMBL2950781 0.87 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1NR3C1
SCHEMBL9052524 0.85 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1MAPT
SCHEMBL2949377 0.81 NR3C1 (0.43) OPRM1OPRD1OPRK1OPRL1NR3C1
SCHEMBL22678127 0.77 OPRL1 (0.49) OPRM1OPRD1OPRK1OPRL1NR3C1
SCHEMBL27619102 0.77 HTR2A (0.70) MAPTL3MBTL1HTR2AHTR2CHTR2B
SCHEMBL9052573 0.77 HPGD (0.46) MAPTSMN1; SMN2L3MBTL1
SCHEMBL18987004 0.76 GSK3B (0.49) MAPTSMN1; SMN2L3MBTL1
SCHEMBL9052143 0.76 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1SMN1; SMN2
SCHEMBL9051892 0.75 KDM4E (0.51) MAPT

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