SCHEMBL8338121

SCHEMBL8338121

N=C1C[C@@H](CCO)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA4 P22748 6/20 0.40
CA9 Q16790 6/20 0.40
NAMPT P43490 1/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A7 Q99884 1/20 0.38
FASN P49327 1/20 0.38
ABCB1 P08183 1/20 0.38
TSHR P16473 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL8342892 0.90 OXTR (0.50) HPGDMAPK1LMNAOXTRAVPR1A
SCHEMBL4414514 0.86 HPGD (0.42) HPGDMAPK1LMNAOXTRAVPR1A
SCHEMBL8341237 0.86 HPGD (0.42) HPGDMAPK1LMNAOXTRAVPR1A
SCHEMBL4414519 0.86 HPGD (0.42) HPGDMAPK1LMNAOXTRAVPR1A
SCHEMBL8343604 0.82 OXTR (0.44) HPGDMAPK1LMNAOXTRAVPR1A
SCHEMBL8341197 0.81 HPGD (0.47) HPGDMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL13709449 0.81 NR1D1 (0.39) HPGDMAPK1LMNAOXTRAVPR1A
SCHEMBL8344306 0.81 OXTR (0.41) HPGDMAPK1LMNAOXTRAVPR1A
SCHEMBL8342472 0.80 LMNA (0.42) HPGDMAPK1LMNAOXTRAVPR1A
SCHEMBL13709427 0.80 MMP2 (0.43) HPGDMAPK1OXTRAVPR1ACA9

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-1532109-B1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK SERONO SA (CH) 2009-09-09 EP disclosed
WO-2004005249-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-15 WO disclosed