SCHEMBL4751728

SCHEMBL4751728

Cc1c(F)cccc1C1[CH]CN(CCCC(N(C)C)N2CCC[C@H]2C)CC1C(=O)c1cccc(O)c1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM2B Q8NHM5 3/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ESR1 P03372 1/20 0.30

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
SCHEMBL4751628 0.92 RAB9A (0.33) KDM2B
SCHEMBL4751362 0.91 KDM2B (0.30) KDM2B
SCHEMBL4816419 0.83 ESR1 (0.30) ESR1
SCHEMBL4751598 0.82 MET (0.30)
SCHEMBL4751428 0.82 KIF11 (0.34)
SCHEMBL4776847 0.80 ESRRG (0.33) MEN1KMT2AKDM2BESR1
SCHEMBL4026066 0.79 ESR1 (0.32) MEN1KMT2AKDM2BESR1
SCHEMBL4025458 0.77 NPC1 (0.36) MEN1KMT2AKDM2B
SCHEMBL4026418 0.77 KDM1A (0.32) KDM2BOPRM1OPRD1
SCHEMBL4809484 0.77 ADRB2 (0.33)

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-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed