SCHEMBL31662938

SCHEMBL31662938

C[C@@H](C(=O)N1CCN(c2ccc(CN3C(=O)C(Cl)=C(Cl)C3O)cc2N)CC1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC4R P32245 16/20 0.34
ADORA1 P30542 1/20 0.33
CYP3A4 P08684 1/20 0.33
MC5R P33032 2/20 0.32
MC3R P41968 2/20 0.32
MC1R Q01726 2/20 0.32
PRMT1 Q99873 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL31662829 0.85 VEGFA (0.41) PRMT1LMNA
SCHEMBL31662839 0.82 MC4R (0.37) MC4RCYP3A4MC5RMC3RMC1R
SCHEMBL31663188 0.81 MMP13 (0.34) MC4RCYP3A4TSHR
SCHEMBL31662710 0.78 HSD17B10 (0.42) LMNA
SCHEMBL31662870 0.74 P2RX7 (0.41) LMNA
SCHEMBL31662803 0.74 HTR1A (0.35) PRMT1LMNA
SCHEMBL31662690 0.73 ENPP2 (0.35) LMNAGLATSHR
SCHEMBL31663171 0.73 SMN1; SMN2 (0.41) LMNA
SCHEMBL31663029 0.72 CCR4 (0.38)
SCHEMBL31662801 0.72 SMN1; SMN2 (0.53) LMNATSHR

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-2025147756-A1 VIRAL SENSITIZERS COMPOSITIONS, METHODS AND USES THEREOF OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2025-07-17 WO disclosed