SCHEMBL6964208

SCHEMBL6964208

CC(=O)NC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
CYP2C19 P33261 1/20 0.62
HTT P42858 1/20 0.59
ENPP2 Q13822 3/20 0.56
GRIN2B Q13224 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
LTA4H P09960 1/20 0.52
CYP3A4 P08684 1/20 0.52
F13A1 P00488 1/20 0.52
TGM2 P21980 1/20 0.52
TGM1 P22735 1/20 0.52

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
SCHEMBL9241437 0.89 SMN1; SMN2 (0.68) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL28552220 0.88 SMN1; SMN2 (0.64) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7137790 0.88 SMN1; SMN2 (0.65) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL28552221 0.88 SMN1; SMN2 (0.64) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL13451503 0.87 KMT2A (0.73) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL1912329 0.87 KMT2A (0.57) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL27417332 0.87 SMN1; SMN2 (0.70) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL9239522 0.87 SMN1; SMN2 (0.65) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL1780742 0.86 SMN1; SMN2 (0.68) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7136567 0.86 SMN1; SMN2 (0.62) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
EP-0897913-B1 4-carboxamido piperidine derivatives and their use as neurokinine antagonists ASTRAZENECA AB (SE) 2003-04-16 EP disclosed
EP-0667858-B1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LTD (GB) 1999-08-25 EP disclosed
EP-0897913-A1 4-carboxamido piperidine derivatives and their use as neurokinine antagonists ZENECA LIMITED (GB) 1999-02-24 EP disclosed
US-5576333-A ASTHMA TREATMENT ZENECA LIMITED (GB) 1996-11-19 US disclosed
US-5559131-A ANTAGONISTS OF TACHYKININS AT THE NEUROKININ 2 RECEPTOR, ANTIASTHMA ZENECA LIMITED (GB) 1996-09-24 US disclosed
US-5559132-A ANTAGONIST OF TACHYKININS AT THE NEUROKININ 2 RECEPTOR, ANTIASTHMA ZENECA LIMITED (GB) 1996-09-24 US disclosed
EP-0667858-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-08-23 EP disclosed
WO-1994010146-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1994-05-11 WO disclosed