SCHEMBL8920957

SCHEMBL8920957

N#CNC(=NCCCOc1ccccc1)Nc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
QPCT Q16769 4/20 0.53
P2RX7 Q99572 1/20 0.53
NOTUM Q6P988 2/20 0.52
MEN1 O00255 1/20 0.52
ABCC9 O60706 1/20 0.52
CYP1A2 P05177 1/20 0.52
KMT2A Q03164 1/20 0.52
ABCC8 Q09428 1/20 0.52
KCNJ11 Q14654 1/20 0.52
KCNJ8 Q15842 1/20 0.52
EGFR P00533 3/20 0.49
GALR3 O60755 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TBXA2R P21731 3/20 0.43

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
SCHEMBL8916138 0.97 NAMPT (0.61) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810429 0.96 NAMPT (0.63) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810735 0.96 NAMPT (0.63) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810488 0.96 NAMPT (0.63) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810168 0.96 NAMPT (0.63) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810197 0.96 NAMPT (0.63) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810245 0.96 NAMPT (0.63) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8920252 0.94 NAMPT (0.56) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8915411 0.87 NAMPT (0.72) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810030 0.86 NAMPT (0.63) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19

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-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 US disclosed
US-5563160-A NERVOUS SYSTEM DISORDERS, ANTIHISTAMINE, ANTIALLERGENS Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktieselskab) (DK) 1996-10-08 US disclosed
EP-0660823-B1 N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS LEO PHARM PROD LTD (DK) 1996-08-14 EP disclosed