SCHEMBL7229865

SCHEMBL7229865

Cc1ccnc(-c2cccc(N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
CYP2A6 P11509 1/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
KMO O15229 1/20 0.39
AAK1 Q2M2I8 10/20 0.39
BRD9 Q9H8M2 1/20 0.39
ABL1 P00519 3/20 0.37
BCR P11274 3/20 0.37
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL7229573 0.87 CCR1 (0.40) NPFFR1NPFFR2ACACBACACAAAK1
SCHEMBL7230300 0.85 ACACB (0.40) NPFFR1NPFFR2ACACBACACAAAK1
SCHEMBL7229054 0.84 MAPT (0.47) NPFFR1NPFFR2ACACBACACA
SCHEMBL7238064 0.83 AAK1 (0.41) CNR1CYP2A6ACACBACACAAAK1
SCHEMBL7230679 0.82 PPARG (0.37) NPFFR1NPFFR2AAK1
SCHEMBL7231006 0.81 AAK1 (0.45) AAK1ABL1BCR
SCHEMBL7846551 0.80 CNR1 (0.52) CNR1CYP2A6ACACBACACABRD9
SCHEMBL7240889 0.80 TRPV1 (0.39) NPFFR1NPFFR2CYP2A6ABL1FGFR3
SCHEMBL7846734 0.80 CNR1 (0.39) CNR1CYP2A6ACACBACACAKMO
SCHEMBL7846731 0.80 CNR1 (0.39) CNR1CYP2A6ACACBACACAKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed