SCHEMBL8922545

SCHEMBL8922545

N#CNC(=NCCCOc1ccc(F)cc1)Nc1ccncc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
QPCT Q16769 4/20 0.51
SIGMAR1 Q99720 4/20 0.49
KCNH2 Q12809 3/20 0.48
AR P10275 2/20 0.48
P2RX7 Q99572 1/20 0.47

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
SCHEMBL810144 0.96 NAMPT (0.80) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810006 0.96 NAMPT (0.80) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810312 0.96 NAMPT (0.80) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810181 0.96 NAMPT (0.80) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810253 0.96 NAMPT (0.80) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL811247 0.96 NAMPT (0.80) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8915411 0.88 NAMPT (0.72) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8916372 0.85 NAMPT (0.82) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810889 0.85 NAMPT (0.68) NAMPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL810542 0.85 NAMPT (0.68) 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 1 patent. 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