SCHEMBL5744299

SCHEMBL5744299

COCCNC(=O)C1CC(=CCl)CN1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.50
AVPR1A P37288 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 5/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PABPC1 P11940 1/20 0.38
PKM P14618 1/20 0.38
BRAF P15056 1/20 0.38
CYP3A4 P08684 2/20 0.38
TACR1 P25103 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
GAA P10253 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
SCHEMBL4945279 1.00 OXTR (0.50) OXTRAVPR1APOLBLMNAHPGD
SCHEMBL5479504 0.83 OXTR (0.43) OXTRAVPR1APOLBLMNAPKM
SCHEMBL4943696 0.82 OXTR (0.72) OXTRAVPR1APOLBLMNAHPGD
SCHEMBL4945363 0.81 LMNA (0.52) OXTRAVPR1APOLBLMNAHPGD
SCHEMBL4940121 0.80 OXTR (0.67) OXTRAVPR1APOLBLMNAKMT2A
SCHEMBL4940128 0.80 OXTR (0.67) OXTRAVPR1APOLBLMNAKMT2A
SCHEMBL4938283 0.79 ALDH1A1 (0.46) OXTRPOLBMAPTMEN1KMT2A
SCHEMBL7219644 0.79 ALDH1A1 (0.46) OXTRPOLBMAPTMEN1KMT2A
SCHEMBL4942737 0.75 ALDH1A1 (0.47) POLBLMNAHPGDMAPTTP53
SCHEMBL4939785 0.74 OXTR (0.44) OXTRAVPR1APOLBLMNAMAPT

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-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP claimed