SCHEMBL31035896

SCHEMBL31035896

CCC(=O)NCc1ccc2c(ccn2C)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.58
TRPV1 Q8NER1 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HPGD P15428 4/20 0.52
ALOX15 P16050 4/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
GAA P10253 1/20 0.52
CASP1 P29466 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL31035943 0.89 MEN1 (0.67) CHRNA7TRPV1MEN1KMT2AHPGD
SCHEMBL31036052 0.86 MTNR1A (0.52) CHRNA7TRPV1GAAMTNR1AMTNR1B
SCHEMBL23928858 0.85 CHRNA7 (0.64) CHRNA7TRPV1KDM4E
SCHEMBL23928856 0.79 CHRNA7 (0.57) CHRNA7TRPV1KDM4ECYP1A2CYP3A4
SCHEMBL30587447 0.79 CHRNA7 (0.57) CHRNA7TRPV1KDM4ECYP1A2CYP3A4
SCHEMBL31369499 0.77 CHRNA7 (0.52) CHRNA7TRPV1KDM4E
SCHEMBL1253366 0.77 CHRNA7 (0.50) CHRNA7TRPV1
SCHEMBL31035952 0.77 NOTUM (0.62) CHRNA7MEN1KMT2AHPGDKDM4E
SCHEMBL9373216 0.76 HPGD (0.55) CHRNA7TRPV1MEN1KMT2AHPGD
SCHEMBL31036025 0.76 HPGD (0.53) CHRNA7TRPV1MEN1KMT2AHPGD

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-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 CN disclosed