SCHEMBL30945941

SCHEMBL30945941

CCC(=O)c1cccc(C2CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.54
TLR2 O60603 4/20 0.49
KMO O15229 1/20 0.48
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
QDPR P09417 1/20 0.44
BRAF P15056 1/20 0.42
DRD3 P35462 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
HTR6 P50406 1/20 0.40

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
SCHEMBL29224145 1.00 HTR2C (0.54) HTR2CTLR2KMOSLC18A3SIGMAR1
SCHEMBL3787686 0.89 KMO (0.54) KMOSIGMAR1BRAFDRD3
SCHEMBL19862479 0.86 KMO (0.64) KMOSIGMAR1BRAFDRD3
SCHEMBL12577717 0.83 HTR2C (0.58) HTR2CTLR2KMOSLC18A3SIGMAR1
SCHEMBL25340114 0.82 KMO (0.48) KMOBRAFDRD3
SCHEMBL1273971 0.82 HTR2C (0.54) HTR2CTLR2
SCHEMBL13609464 0.82 HCRTR1 (0.56) HTR2CTLR2
SCHEMBL1633310 0.81 KMO (0.71) HTR2CTLR2KMOSLC18A3SIGMAR1
SCHEMBL28767888 0.81 KMO (0.39) HTR2CTLR2KMOBRAFDRD3
Hydrochloric Acid SCHEMBL4303987 0.81 HCRTR1 (0.55) HTR2CTLR2

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-118146234-A 6,5,7,6-Tetracyclic derivatives, preparation method and application thereof 浙江我武翼方药业有限公司 2024-06-07 CN disclosed