SCHEMBL8315664

SCHEMBL8315664

CCCCOC(=O)N1CCC(NC(=O)N2CCN(CCC(=O)OCC)CC2)(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 7/20 0.46
HRH1 P35367 7/20 0.46
ADORA3 P0DMS8 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
OPRM1 P35372 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 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
SCHEMBL7968867 0.96 HRH2 (0.46) HRH2HRH1ADORA3HTR2AHTR7
SCHEMBL6422095 0.86 CCR5 (0.42) MAPTALDH1A1
SCHEMBL6425327 0.84 CCR5 (0.44) MAPT
SCHEMBL8310177 0.84 KMT2A (0.50) MAPTALDH1A1SMN1; SMN2OPRD1OPRK1
SCHEMBL6421681 0.83 OPRM1 (0.46) HRH2HRH1OPRM1SIGMAR1MAPT
SCHEMBL7842690 0.81 OPRM1 (0.45) OPRM1MAPTOPRD1OPRK1
SCHEMBL6422288 0.73 OPRM1 (0.47) OPRM1MAPTALDH1A1OPRD1OPRK1
SCHEMBL7840870 0.71 TACR2 (0.47) HRH1
SCHEMBL27463567 0.71 MAPT (0.68) MAPTALDH1A1
SCHEMBL1447090 0.71 OPRD1 (0.56) OPRM1SMN1; SMN2OPRD1OPRK1

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-0946545-A1 NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1999-10-06 EP disclosed
WO-1998027085-A1 NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 WO disclosed