SCHEMBL6162538

SCHEMBL6162538

CN(C)C(=O)C1(N2CCCCC2=O)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C19 P33261 1/20 0.42
F10 P00742 2/20 0.42
OPRK1 P41145 3/20 0.41
KDM1A O60341 2/20 0.41
OPRD1 P41143 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 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
SCHEMBL8940308 0.89 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4870245 0.88 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6161501 0.87 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6161821 0.87 PPIA (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8292281 0.86 SMN1; SMN2 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6160410 0.86 MEN1 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6951672 0.86 ALDH1A1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8293109 0.85 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7976041 0.84 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7976042 0.84 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP disclosed
US-6355695-B1 ANTIHISTAMINES; ASTHMA THERAPY ZENECA LIMITED (SE) 2002-03-12 US disclosed
US-6235757-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2001-05-22 US disclosed
US-6051580-A Substituted heterocycles ZENECA LIMITED 2000-04-18 US disclosed
EP-0726893-B1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5889024-A Substituted heterocycles ZENECA LIMITED (GB) 1999-03-30 US disclosed
US-5677317-A Lactam compounds which are useful in the treatment of asthma ZENECA LIMITED (GB) 1997-10-14 US disclosed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP disclosed
EP-0726893-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1996-08-21 EP disclosed
US-5534525-A Lactam derivatives ZENECA LIMITED (GB) 1996-07-09 US disclosed
WO-1995012577-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1995-05-11 WO disclosed