SCHEMBL30503555

SCHEMBL30503555

Cc1cc2ccc(Cl)nc2n1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.39
CCR9 P51686 1/20 0.35
CYP11B1 P15538 2/20 0.32
NMT1 P30419 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSD11B1 P28845 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL26631341 1.00 CYP11B2 (0.39) CYP11B2CCR9CYP11B1NMT1MEN1
SCHEMBL26280740 0.80 BACE1 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL31347039 0.78 CCR9 (0.34) CYP11B2CCR9CYP11B1NMT1NPC1
SCHEMBL748586 0.74 CYP11B2 (0.36) CYP11B2CCR9
SCHEMBL29952151 0.74 CYP11B2 (0.36) CYP11B2CCR9
SCHEMBL29188992 0.73 CCR9 (0.54) CYP11B2CCR9RXFP1SMN1; SMN2
SCHEMBL5364876 0.72 CDK4 (0.43) CYP11B2CCR9RXFP1HTT
SCHEMBL29643831 0.72 CDC7 (0.44) CYP11B2CYP11B1MEN1KMT2AHTT
SCHEMBL27424598 0.70 ALOX15 (0.43) CCR9MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL25207020 0.70 L3MBTL1 (0.49) CYP11B2CCR9MEN1KMT2ASMN1; SMN2

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-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed