SCHEMBL23747732

SCHEMBL23747732

COc1ccc(CNCNc2ccc(CN3CCCC3c3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.52
OPRM1 P35372 3/20 0.52
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH2 P25021 1/20 0.44
CXCR4 P61073 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
IL33 O95760 2/20 0.41

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
SCHEMBL26102269 0.92 OPRK1 (0.55) OPRK1OPRM1ACHEBACE1SIGMAR1
SCHEMBL28205556 0.86 OPRK1 (0.61) OPRK1OPRM1SIGMAR1HRH2KDM4E
SCHEMBL9539833 0.82 SIGMAR1 (0.58) OPRK1OPRM1SIGMAR1KMT2AHRH2
SCHEMBL23747504 0.81 NPC1 (0.60) OPRK1OPRM1MEN1KMT2AKDM4E
SCHEMBL23747503 0.81 NPC1 (0.60) OPRK1OPRM1MEN1KMT2AKDM4E
SCHEMBL28312282 0.81 OPRK1 (0.61) OPRK1OPRM1SIGMAR1MEN1KMT2A
SCHEMBL26103018 0.81 OPRK1 (0.48) OPRK1OPRM1ACHEMEN1KMT2A
SCHEMBL26100527 0.79 ACHE (0.47) OPRK1OPRM1ACHEBACE1SIGMAR1
SCHEMBL23747562 0.75 NPC1 (0.63) OPRK1OPRM1MEN1KMT2AKDM4E
SCHEMBL23747507 0.75 GLA (0.48) OPRK1OPRM1SIGMAR1MEN1KMT2A

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-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed