SCHEMBL31662897

SCHEMBL31662897

Cc1cc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)ccc1CN1C(=O)C(Cl)=C(Cl)C1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
UCHL1 P09936 2/20 0.38
CPT2 P23786 2/20 0.38
CPT1A P50416 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 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
SCHEMBL31662878 0.88 SMN1; SMN2 (0.42) ALDH1A1LMNANPSR1TSHRCYP2C19
SCHEMBL31662853 0.82 MEN1 (0.42) ALDH1A1HSD17B10HRH2HRH1LMNA
SCHEMBL31662710 0.81 HSD17B10 (0.42) ALDH1A1HSD17B10HRH2HRH1LMNA
SCHEMBL31662798 0.78 KHK (0.42) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL31663188 0.78 MMP13 (0.34) ALDH1A1NPSR1TSHRCYP1A2CYP3A4
SCHEMBL31662801 0.75 SMN1; SMN2 (0.53) ALDH1A1LMNANPSR1TSHRCYP2C19
SCHEMBL31662949 0.75 CCR1 (0.39) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL31662958 0.74 GAA (0.44) CPT2CPT1AGAANPBWR1MCHR1
SCHEMBL31662904 0.74 MAPT (0.35) ALDH1A1LMNANPSR1TSHRHTT
SCHEMBL31663164 0.73 ADRB1 (0.45) ALDH1A1HSD17B10LMNATSHRCYP1A2

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