SCHEMBL7657242

SCHEMBL7657242

O=C(C=Cc1cccnc1)N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)s2)[C@](I)(C(=O)NOC2CCCCO2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.38
HCRTR1 O43613 1/20 0.37
C3AR1 Q16581 1/20 0.34
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
GPR183 P32249 2/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPT P10636 1/20 0.30
PADI4 Q9UM07 1/20 0.30

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
SCHEMBL7059787 0.84 NAMPT (0.40) NAMPTHCRTR1C3AR1FNTAFNTB
SCHEMBL7058802 0.70 TSHR (0.41) C3AR1
Hydrochloric Acid SCHEMBL7053243 0.70 NAMPT (0.46) NAMPTGPR183
Hydrochloric Acid SCHEMBL7053241 0.70 NAMPT (0.46) NAMPTGPR183
SCHEMBL7346270 0.70 ALDH1A1 (0.43)
SCHEMBL26186284 0.67 NPC1 (0.46) NAMPTC3AR1CYP3A4CYP2C9MAPT
SCHEMBL7056073 0.67 SMN1; SMN2 (0.36) HCRTR1MAPT
SCHEMBL7055293 0.66 HCRTR1 (0.37) HCRTR1
SCHEMBL7057786 0.66 MCHR1 (0.36) HCRTR1MAPT
SCHEMBL7059076 0.66 SMN1; SMN2 (0.36) HCRTR1MAPT

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-6489324-B2 TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-03 US disclosed