SCHEMBL30012633

SCHEMBL30012633

O=C(CC[C@]1(C2CC2)CNCN1)N1Cc2ccc(CC(F)(F)F)cc2C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ MOGAT2 Q3SYC2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ FAP Q12884 1/20 0.31
▸ ABHD6 Q9BV23 1/20 0.31

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
SCHEMBL31121187 0.84 DPP4 (0.44) NAMPTROCK2ROCK1FAP
SCHEMBL30013223 0.83 ABHD6 (0.38) NAMPTABHD6
SCHEMBL31121184 0.82 FAP (0.39) NAMPTFAP
SCHEMBL23745206 0.77 ADAMTS5 (0.53) —
SCHEMBL29835210 0.77 ADAMTS5 (0.53) —
SCHEMBL23745230 0.76 ADAMTS5 (0.37) —
SCHEMBL31121176 0.76 DPP8 (0.40) NAMPTMEN1
SCHEMBL23745212 0.71 ADAMTS5 (0.52) —
SCHEMBL30013191 0.70 ADAMTS5 (0.34) —
SCHEMBL30013203 0.67 DPP7 (0.41) NAMPTFAP

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
EP-4100005-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2022-12-14 — — EP disclosed
Send feedback