SCHEMBL27362545

SCHEMBL27362545

NC(=O)c1ccc2c(c1)CCN(Cc1cccc(Cl)c1)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
OPRM1 P35372 4/20 0.56
OPRD1 P41143 4/20 0.56
OPRK1 P41145 4/20 0.56
NOD1 Q9Y239 2/20 0.48
ACACB O00763 1/20 0.48
TNF P01375 1/20 0.48
NOD2 Q9HC29 1/20 0.48
HPGD P15428 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL27569191 0.83 OPRM1 (0.85) OPRM1OPRD1OPRK1
SCHEMBL27362549 0.82 MEN1 (0.55) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL6972464 0.82 SIGMAR1 (0.52) MEN1KMT2AACACBHPGDSIGMAR1
SCHEMBL27343001 0.81 MEN1 (0.54) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL12607818 0.81 TMEM97 (0.62) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL27361573 0.80 MEN1 (0.60) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL14234933 0.80 SIGMAR1 (0.64) MEN1KMT2AHPGDCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1785554 0.80 TMEM97 (0.61) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL4239488 0.79 MEN1 (0.61) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL3691859 0.79 OPRM1 (0.85) OPRM1OPRD1OPRK1

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
CN-1058709-C Amide compounds for medical treatment PFIZER (US) 2000-11-22 CN disclosed
CN-1141918-A Amide compounds for medical treatment PFIZER (US) 1997-02-05 CN disclosed