SCHEMBL17127708

SCHEMBL17127708

CCc1ccc(C(C)C)c2ccn(C)c12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.35
▸ PIP4K2C Q8TBX8 1/20 0.32
▸ GPR55 Q9Y2T6 2/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ F2RL1 P55085 2/20 0.30

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
SCHEMBL18999709 0.81 F2RL1 (0.37) PIP4K2CGPR55F2RL1
SCHEMBL27302027 0.77 GPR55 (0.38) PIP4K2CGPR55CNR2F2RL1
SCHEMBL23809439 0.73 ACE2 (0.49) ACE2F2RL1
SCHEMBL13184301 0.71 KMT2A (0.34) —
SCHEMBL2381219 0.68 F2RL1 (0.34) F2RL1
SCHEMBL30954328 0.68 LMNA (0.37) F2RL1
SCHEMBL23809437 0.67 ACE2 (0.49) ACE2F2RL1
SCHEMBL19297217 0.67 GPR55 (0.36) ACE2GPR55CNR2
SCHEMBL21515787 0.66 GABRA1 (0.30) —
SCHEMBL19007323 0.66 PTGS2 (0.42) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122353-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-28 — — EP disclosed
WO-2015148854-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-10-01 — — WO disclosed
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