SCHEMBL4709971

SCHEMBL4709971

O=C(O)NCc1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NAMPT P43490 5/20 0.44
AVPR1A P37288 2/20 0.43
USP2 O75604 1/20 0.43
VNN1 O95497 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GFER P55789 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
AVPR2 P30518 1/20 0.40
OXTR P30559 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3554440 0.94 USP2 (0.47) LMNASMN1; SMN2NAMPTAVPR1AUSP2
SCHEMBL3552792 0.93 USP2 (0.47) LMNASMN1; SMN2NAMPTAVPR1AUSP2
SCHEMBL3554744 0.92 NAMPT (0.47) LMNASMN1; SMN2NAMPTAVPR1AUSP2
SCHEMBL3553460 0.92 AVPR1A (0.52) LMNASMN1; SMN2NAMPTAVPR1AUSP2
SCHEMBL3554592 0.92 NAMPT (0.52) LMNASMN1; SMN2NAMPTAVPR1AVNN1
SCHEMBL3557245 0.91 NAMPT (0.47) LMNASMN1; SMN2NAMPTAVPR1AUSP2
SCHEMBL3550048 0.91 VNN1 (0.47) LMNASMN1; SMN2NAMPTAVPR1AUSP2
SCHEMBL3559289 0.91 KMT2A (0.48) LMNASMN1; SMN2NAMPTAVPR1AVNN1
SCHEMBL3550414 0.90 STAT3 (0.48) LMNASMN1; SMN2NAMPTUSP2VNN1
SCHEMBL3555255 0.90 AVPR1A (0.50) LMNASMN1; SMN2NAMPTAVPR1AVNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893615-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 EP claimed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 WO claimed
EP-1893615-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 EP disclosed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 WO disclosed