SCHEMBL23536171

SCHEMBL23536171

OCCc1cccc(F)c1N1CCC(F)(F)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
TRPV3 Q8NET8 2/20 0.34
GAA P10253 1/20 0.34
CNR2 P34972 3/20 0.34
GUCY1B2 O75343 1/20 0.33
GUCY1A2 P33402 1/20 0.33
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 1/20 0.33
MC4R P32245 3/20 0.32
MC5R P33032 1/20 0.32
MC3R P41968 1/20 0.32
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CNR1 P21554 1/20 0.31
KIF18A Q8NI77 1/20 0.31
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL23536026 0.85 MAOB (0.37) MAOBTRPV3CNR2GUCY1B2GUCY1A2
SCHEMBL23536505 0.82 MAOB (0.39) MAOBTRPV3CNR2ALDH1A1MEN1
SCHEMBL23535998 0.78 MAOB (0.37) MAOBCNR2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL23535948 0.78 ICMT (0.32)
SCHEMBL28867506 0.75 MC4R (0.38) TRPV3MC4RMC5RMC3R
SCHEMBL28867512 0.75 MC4R (0.35) TRPV3CNR2MC4RMC5RMC3R
SCHEMBL28867505 0.75 MC4R (0.38) TRPV3MC4RMC5RMC3R
SCHEMBL28867513 0.75 MC4R (0.35) TRPV3CNR2MC4RMC5RMC3R
SCHEMBL29932063 0.72 KMT2A (0.39) ALDH1A1RAB9AKMT2A
SCHEMBL23925319 0.71 ALDH1A1 (0.43) ALDH1A1MEN1RAB9AKMT2A

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
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed