SCHEMBL31662839

SCHEMBL31662839

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 15/20 0.37
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 3/20 0.36
MC5R P33032 5/20 0.35
MC3R P41968 5/20 0.35
MC1R Q01726 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.33
MITF O75030 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL31662831 0.88 MC4R (0.38) MC4RLMNAMC5RMC3RALDH1A1
SCHEMBL31662699 0.86 GAA (0.39) LMNATSHRALDH1A1KMT2AMITF
SCHEMBL31662938 0.82 MC4R (0.34) MC4RLMNAGLATSHRCYP3A4
SCHEMBL31662829 0.82 VEGFA (0.41) LMNAALDH1A1KMT2AMAPTNPSR1
SCHEMBL31662796 0.81 AOC3 (0.39) ALDH1A1KMT2A
SCHEMBL31662803 0.79 HTR1A (0.35) LMNAALDH1A1
SCHEMBL31662904 0.78 MAPT (0.35) MC4RLMNATSHRALDH1A1MAPT
SCHEMBL31663029 0.77 CCR4 (0.38) KMT2A
SCHEMBL31662883 0.74 GAA (0.38) MC4RLMNATSHRCYP3A4KMT2A
SCHEMBL31663031 0.70 GFER (0.47) LMNATSHRALDH1A1KMT2AMAPT

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