SCHEMBL30833471

SCHEMBL30833471

O=C(Nc1ccnnc1)N1CCCCC1C(F)(F)S(=O)(=O)c1ccccc1C(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
EPHX2 P34913 2/20 0.36
WNT3 P56703 1/20 0.36
SFRP1 Q8N474 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAMPT P43490 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HCRTR1 O43613 1/20 0.33
LMNA P02545 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
PIK3CG P48736 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL30833492 0.87 RORC (0.36) RORCEPHX2WNT3SFRP1NPC1
SCHEMBL30833394 0.83 RORC (0.35) RORCEPHX2WNT3SFRP1NPC1
SCHEMBL30833448 0.83 NAMPT (0.37) RORCSMN1; SMN2NAMPTKMT2ATRPV1
SCHEMBL17942410 0.83 NAMPT (0.37) RORCSMN1; SMN2NAMPTKMT2ATRPV1
SCHEMBL30833449 0.80 RORC (0.42) RORCEPHX2WNT3SFRP1NPC1
SCHEMBL29262256 0.78 RORC (0.38) RORCWNT3SFRP1TRPV1LRRK2
SCHEMBL30833437 0.77 RORC (0.37) RORCEPHX2WNT3SFRP1SMN1; SMN2
SCHEMBL30833456 0.76 RORC (0.35) RORCEPHX2WNT3SFRP1TRPV1
SCHEMBL30833421 0.76 RORC (0.36) RORCEPHX2WNT3SFRP1SMN1; SMN2
SCHEMBL30833383 0.76 MEN1 (0.42) RORCEPHX2WNT3SFRP1KMT2A

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