SCHEMBL31336130

SCHEMBL31336130

C[C@H]1CN(c2cccc3cccnc23)[C@@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
POLB P06746 3/20 0.48
GPR119 Q8TDV5 1/20 0.46
HTT P42858 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
MAP4K4 O95819 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.38
GFER P55789 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.37
ESR2 Q92731 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL29764171 1.00 KDM4E (0.48) KDM4EPOLBGPR119HTTTRPV1
SCHEMBL23602021 1.00 KDM4E (0.48) KDM4EPOLBGPR119HTTTRPV1
SCHEMBL28809309 0.84 ALDH1A1 (0.45) KDM4EHTTTRPV1ALDH1A1HCRTR1
SCHEMBL23602022 0.84 MAP4K4 (0.53) KDM4EPOLBGPR119HTTTRPV1
SCHEMBL29144191 0.79 AR (0.44) GPR119
SCHEMBL23133940 0.79 AR (0.44) GPR119
SCHEMBL29144194 0.79 AR (0.44) GPR119
SCHEMBL29728622 0.79 AR (0.44) GPR119
SCHEMBL11355918 0.78 GPR119 (0.52) GPR119TRPV1MAP4K4
SCHEMBL11363869 0.75 GPR119 (0.50) GPR119TRPV1MAP4K4TSHR

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-4081524-B1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2025-01-29 EP disclosed