SCHEMBL31411581

SCHEMBL31411581

COC(=O)c1ccc2c(c1)N(CC1CCN(c3ccsc3)C1)C(=O)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
CRHR1 P34998 6/20 0.38
CRHR2 Q13324 3/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
OPRD1 P41143 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CPT1A P50416 2/20 0.34
CPT1B Q92523 2/20 0.34
CPT2 P23786 1/20 0.34
HSD17B10 Q99714 3/20 0.33
ALOX15 P16050 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
PABPC1 P11940 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
SCHEMBL31411565 0.90 CRHR1 (0.36) CRHR1CRHR2KDM4EOPRD1POLB
SCHEMBL31411747 0.83 CPT1A (0.37) CRHR1CRHR2OPRD1CPT1ACPT1B
SCHEMBL31411612 0.81 CRHR1 (0.41) CRHR1CRHR2KDM4EALDH1A1MAPT
SCHEMBL31411549 0.81 CRHR1 (0.41) CRHR1CRHR2KDM4EALDH1A1MAPT
SCHEMBL24885153 0.80 OPRD1 (0.46) CRHR1CRHR2KDM4EALDH1A1OPRD1
SCHEMBL31411541 0.78 CRHR1 (0.41) CRHR1CRHR2KDM4EPOLBCPT1A
SCHEMBL31411711 0.77 CRHR1 (0.45) CRHR1CRHR2OPRD1CPT1ACPT1B
SCHEMBL31411546 0.76 CRHR1 (0.34) CRHR1CRHR2
SCHEMBL31411800 0.76 CPT1A (0.43) HTR7ALDH1A1NPC1RAB9APOLB
SCHEMBL24885150 0.75 BACE1 (0.48) CRHR1CRHR2KDM4EOPRD1BACE1

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
CN-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed