SCHEMBL433833

SCHEMBL433833

CS(=O)(=O)NCc1cccc(C2(C(=O)NCC(c3ccccc3)N3CCCC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
OPRD1 P41143 3/20 0.47
OPRK1 P41145 3/20 0.47
CYP2D6 P10635 2/20 0.47
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
CCR3 P51677 1/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL434790 0.91 OPRM1 (0.47) OPRM1OPRD1OPRK1CYP2D6ALDH1A1
SCHEMBL433030 0.85 SLC6A3 (0.45) OPRM1OPRK1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL433028 0.84 P2RX7 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL433923 0.81 HSD11B1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL433444 0.81 SLC6A4 (0.47) OPRM1OPRD1OPRK1ALDH1A1MEN1
SCHEMBL434266 0.80 MAPT (0.53) OPRM1OPRD1OPRK1CYP2D6ALDH1A1
SCHEMBL15380395 0.80 OPRK1 (0.55) OPRM1OPRD1OPRK1CYP2D6ALDH1A1
SCHEMBL433098 0.80 OPRK1 (0.55) OPRM1OPRD1OPRK1CYP2D6ALDH1A1
SCHEMBL435467 0.80 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL435352 0.79 P2RX7 (0.43) ALDH1A1MEN1KMT2AKDM4EMAPT

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-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 WO disclosed