SCHEMBL4566530

SCHEMBL4566530

COC(=O)c1cncc(N2CCNCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.51
HTR2A P28223 4/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTR1A P08908 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PIM2 Q9P1W9 2/20 0.42
AURKA O14965 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HTR2B P41595 3/20 0.39
HTR3A P46098 2/20 0.38
CHRNB2 P17787 2/20 0.38

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
SCHEMBL31705963 1.00 HTR2C (0.51) HTR2CHTR2AKDM4EMEN1KMT2A
SCHEMBL31706833 1.00 HTR2C (0.51) HTR2CHTR2AKDM4EMEN1KMT2A
SCHEMBL31014743 0.87 NPC1 (0.40) KDM4EMEN1KMT2APIM2
SCHEMBL24323742 0.85 NPC1 (0.41) KDM4EMEN1KMT2AALDH1A1PIM2
SCHEMBL31705338 0.83 PIK3CA (0.44) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL24993524 0.83 PIK3CA (0.44) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL24993522 0.81 DPP4 (0.40) KDM4E
SCHEMBL24993525 0.80 DRD2 (0.40) KDM4EALDH1A1HPGDSIGMAR1
SCHEMBL27389432 0.79 KDM4E (0.53) HTR2CKDM4EMEN1KMT2AALDH1A1
SCHEMBL1831306 0.78 HDAC3 (0.48) KDM4EMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 WO disclosed
WO-2012064569-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-05-18 WO disclosed
WO-2012064569-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-05-18 WO disclosed