SCHEMBL31648898

SCHEMBL31648898

COc1cccc([C@@H]2CCCN2C(N)=O)c1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.50
HSP90AB1 P08238 3/20 0.50
PPIB P23284 2/20 0.46
PPID Q08752 1/20 0.46
PPIG Q13427 1/20 0.46
ROCK2 O75116 1/20 0.44
GRM5 P41594 1/20 0.42
HTT P42858 1/20 0.42
HSD11B1 P28845 2/20 0.41
SCD5 Q86SK9 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5194432 0.84 HSP90AA1 (0.58) HSP90AA1HSP90AB1PPIBPPIDPPIG
SCHEMBL31648408 0.84 PPIB (0.48) HSP90AA1HSP90AB1PPIBPPIDPPIG
SCHEMBL31648082 0.76 EPHX2 (0.45) HSP90AA1HSP90AB1HSD11B1MAPTALDH1A1
SCHEMBL31648163 0.76 PPIB (0.44) HSP90AA1HSP90AB1PPIBPPIDPPIG
SCHEMBL28511386 0.73 MEN1 (0.55) HSP90AA1HSP90AB1PPIBPPIDPPIG
SCHEMBL31648575 0.73 PPIB (0.40) HSP90AA1HSP90AB1PPIBPPIDPPIG
SCHEMBL31648466 0.73 PPIB (0.40) HSP90AA1HSP90AB1PPIBPPIDPPIG
SCHEMBL31648538 0.73 PPIB (0.40) HSP90AA1HSP90AB1PPIBPPIDPPIG
SCHEMBL5758265 0.72 HSP90AA1 (0.59) HSP90AA1HSP90AB1PPIBPPIDPPIG
SCHEMBL31648678 0.71 PPIB (0.48) HSP90AA1HSP90AB1PPIBPPIDPPIG

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-2025132946-A1 PHENYLPYRROLIDINE DERIVATIVES AND THEIR USE AS POI-THETA DERIVATIVES BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 WO disclosed