SCHEMBL30833479

SCHEMBL30833479

CC(F)(C1CCN(C(=O)Nc2ccnnc2)CC1)S(=O)(=O)c1ccc(OC(F)F)nc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
FAAH O00519 1/20 0.37
NAMPT P43490 6/20 0.36
GPR119 Q8TDV5 1/20 0.36
EPHX2 P34913 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
RORC P51449 1/20 0.35
PRKAA2 P54646 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
FPR2 P25090 2/20 0.34
FPR1 P21462 1/20 0.34
CNR1 P21554 1/20 0.34
PANK3 Q9H999 1/20 0.34
SPR P35270 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
SCHEMBL17942348 1.00 CA12 (0.37) CA12CA1CA2CA9FAAH
SCHEMBL17942345 0.91 CA12 (0.38) CA12CA1CA2CA9FAAH
SCHEMBL19996432 0.87 CA12 (0.40) CA12CA1CA2CA9NAMPT
SCHEMBL17949180 0.87 TRPV1 (0.44) CA12CA1CA2CA9EPHX2
SCHEMBL30833432 0.85 EPHX2 (0.37) EPHX2RORCPRKAA2FPR2FPR1
SCHEMBL17949197 0.83 TRPV1 (0.46) CA12CA1CA2CA9FAAH
SCHEMBL17942555 0.83 GPR119 (0.40) GPR119
SCHEMBL17949193 0.83 ALPL (0.37) CA12CA1CA2CA9FAAH
SCHEMBL18011677 0.83 ALPL (0.37) CA12CA1CA2CA9FAAH
SCHEMBL17949196 0.83 ALPL (0.37) CA12CA1CA2CA9FAAH

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