SCHEMBL6159810

SCHEMBL6159810

NC1(c2ccccc2)CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
KDM1A O60341 1/20 0.42
MAPK1 P28482 1/20 0.41
HSD11B1 P28845 3/20 0.41
MGLL Q99685 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CXCR3 P49682 1/20 0.39
TET3 O43151 1/20 0.39
KMT2A Q03164 1/20 0.39
FBXL19 Q6PCT2 1/20 0.39
CXXC5 Q7LFL8 1/20 0.39
TET1 Q8NFU7 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
CXXC4 Q9H2H0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39

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
SCHEMBL6159060 0.83 ALDH1A1 (0.50) OPRM1HSD11B1KMT2A
SCHEMBL10322683 0.82 OPRM1 (0.47) OPRM1HSD11B1CNR1CNR2TET3
SCHEMBL27099785 0.81 MGLL (0.43) OPRM1KDM1AMAPK1HSD11B1MGLL
SCHEMBL10282915 0.79 USP2 (0.55) OPRM1MAPK1KMT2A
SCHEMBL521915 0.78 CA12 (0.58) OPRM1KMT2A
SCHEMBL6160184 0.76 ALDH1A1 (0.63) KDM1ACNR1CNR2
SCHEMBL10324681 0.75 TSHR (0.56) CHRM2CHRM1CHRM3
SCHEMBL22874143 0.73 APP (0.56) OPRM1
SCHEMBL17848683 0.73 MGLL (0.44) KDM1AMAPK1HSD11B1MGLLCHRM2
SCHEMBL2931546 0.73 OPRM1 (0.47) OPRM1KDM1ACNR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP disclosed
EP-0680962-B1 Heterocyclic compounds ASTRAZENECA AB (SE) 2003-08-20 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
US-5889024-A Substituted heterocycles ZENECA LIMITED (GB) 1999-03-30 US disclosed
US-5739149-A TREATING ASTHMA ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5635509-A ASTHMA; BRONCHODILATOR AGENTS; VASODILATION MICROVASCULAR PERMEABILITY; MAST CELLS ZENECA LIMITED (GB) 1997-06-03 US disclosed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP disclosed
EP-0680962-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1995-11-08 EP disclosed