SCHEMBL24187245

SCHEMBL24187245

O=C(CC[C@@]1(C2CC2)NC(O)NC1=O)N1CCN2c3ccccc3CCC2C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 17/20 0.47
▸ MMP2 P08253 6/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ ADAMTS4 O75173 1/20 0.42
▸ ADAM17 P78536 1/20 0.42
▸ DRD3 P35462 1/20 0.42

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
SCHEMBL24187205 0.85 ADAMTS5 (0.65) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL24187200 0.80 ADAMTS5 (0.59) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL24187198 0.78 ADAMTS5 (0.65) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL24187393 0.78 ADAMTS5 (0.65) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL24187395 0.78 ADAMTS5 (0.65) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL25948111 0.77 ADAMTS5 (0.70) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL19996703 0.73 ADAMTS5 (0.74) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL23745366 0.73 ADAMTS5 (0.46) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL24187202 0.73 ADAMTS5 (0.60) ADAMTS5MMP2ADAMTS4ADAM17
SCHEMBL23745300 0.72 ADAMTS5 (0.49) ADAMTS5MMP2ADAMTS4ADAM17

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
WO-2022007866-A1 FUSED TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 深圳信立泰药业股份有限公司 2022-01-13 — — WO disclosed
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