SCHEMBL31035952

SCHEMBL31035952

CCC(=O)Nc1ccc2c(ccn2C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.62
CYP3A4 P08684 3/20 0.55
HTR2B P41595 3/20 0.55
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 2/20 0.55
TP53 P04637 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
MAPT P10636 2/20 0.55
CYP2C19 P33261 2/20 0.55
RECQL P46063 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR2C P28335 4/20 0.54
MAOB P27338 1/20 0.53
RAB9A P51151 4/20 0.53
TSHR P16473 2/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53

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
SCHEMBL31036001 0.88 NOTUM (0.59) NOTUMCYP3A4HTR2BKDM4EMEN1
SCHEMBL28383838 0.85 NOTUM (0.59) NOTUMCYP3A4HTR2BKDM4EMEN1
SCHEMBL19538866 0.83 MAPT (0.59) NOTUMCYP3A4HTR2BKDM4EMEN1
SCHEMBL21379454 0.83 HTR2C (0.60) NOTUMCYP3A4HTR2BKDM4EMEN1
SCHEMBL29757934 0.81 HTR2B (0.58) NOTUMCYP3A4HTR2BKDM4EMEN1
SCHEMBL13808316 0.81 HTR2B (0.58) NOTUMCYP3A4HTR2BKDM4EMEN1
SCHEMBL31035856 0.80 HTR2C (0.52) NOTUMCYP3A4HTR2BKDM4EMEN1
SCHEMBL12110170 0.80 HTR2B (0.64) NOTUMCYP3A4HTR2BKDM4EMEN1
SCHEMBL19538872 0.79 HTR2C (0.56) NOTUMCYP3A4HTR2BKDM4EMEN1
SCHEMBL1148605 0.79 HTR2B (0.62) NOTUMCYP3A4HTR2BKDM4EMEN1

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