SCHEMBL30833448

SCHEMBL30833448

O=C(Nc1ccnnc1)N1CCC(C(F)(F)S(=O)(=O)c2ccccc2C(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.37
TRPV1 Q8NER1 7/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
SPR P35270 1/20 0.35
RORC P51449 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL17942410 1.00 NAMPT (0.37) NAMPTTRPV1KDM4EGAAALDH1A1
SCHEMBL17948889 0.87 ELOVL6 (0.43) KDM4EALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL17942341 0.86 KDM4E (0.38) NAMPTTRPV1KDM4EGAAALDH1A1
SCHEMBL30833489 0.86 NAMPT (0.37) NAMPTTRPV1KDM4EGAAALDH1A1
SCHEMBL17942485 0.86 NAMPT (0.37) NAMPTTRPV1KDM4EGAAALDH1A1
SCHEMBL29529392 0.85 CA12 (0.39) NAMPTTRPV1KDM4EGAAALDH1A1
SCHEMBL17949343 0.85 CA12 (0.39) NAMPTTRPV1KDM4EGAAALDH1A1
SCHEMBL17948892 0.85 EPHX2 (0.35) NAMPTTRPV1KDM4EGAAALDH1A1
SCHEMBL29530692 0.85 EPHX2 (0.35) NAMPTTRPV1KDM4EGAAALDH1A1
SCHEMBL17949147 0.83 NPY5R (0.39) NAMPTTRPV1KDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118164961-A 4-Methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) 迈奥卡迪亚公司 2024-06-11 CN disclosed
CN-111393414-B 4-Methylsulfonyl substituted piperidine urea compounds for the treatment of Dilated Cardiomyopathy (DCM) 迈奥卡迪亚公司 2024-05-07 CN disclosed