SCHEMBL6962965

SCHEMBL6962965

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

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.66
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CYP2C19 P33261 1/20 0.55
GRIN2B Q13224 3/20 0.53
KCNH2 Q12809 2/20 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
SCHEMBL4875063 0.97 ENPP2 (0.67) ENPP2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL6975151 0.89 KMT2A (0.67) ENPP2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL23187464 0.88 ENPP2 (0.52) ENPP2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL13451503 0.83 KMT2A (0.73) ENPP2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL9241437 0.83 SMN1; SMN2 (0.68) ENPP2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL13779750 0.81 ENPP2 (0.58) ENPP2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL13521537 0.81 MEN1 (0.57) ENPP2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL25380929 0.81 KMT2A (0.67) ENPP2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL18032530 0.81 ENPP2 (0.58) ENPP2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL15803479 0.81 ENPP2 (0.73) ENPP2KMT2AMEN1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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