SCHEMBL17206709

SCHEMBL17206709

O=C(/N=C(/Nc1ccc(Cl)c(F)c1)N[C@H]1CC[C@H](O)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
EPHX2 P34913 5/20 0.40
RAF1 P04049 2/20 0.40
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
MAOB P27338 1/20 0.38

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
SCHEMBL9924262 0.85 UBE2M (0.46) TRPV1ALDH1A1MEN1KMT2AMRGPRX4
SCHEMBL9924261 0.85 TRPV1 (0.42) TRPV1ALDH1A1MEN1KMT2AMRGPRX4
SCHEMBL9924227 0.84 EPHX2 (0.52) MEN1KMT2AEPHX2MAOB
SCHEMBL17206706 0.82 DCUN1D1 (0.52) MEN1KMT2AEPHX2
SCHEMBL9924153 0.81 TRPV1 (0.42) TRPV1ALDH1A1MRGPRX4EPHX2
SCHEMBL17206619 0.79 EPHX2 (0.48) MEN1KMT2AEPHX2MAOB
SCHEMBL18558524 0.78 MEN1 (0.35) TRPV1ALDH1A1MEN1KMT2AMRGPRX4
SCHEMBL19362654 0.77 TRPV1 (0.42) TRPV1MRGPRX4EPHX2
SCHEMBL9924130 0.77 DCUN1D1 (0.52) ALDH1A1MEN1KMT2AMRGPRX4EPHX2
SCHEMBL9924226 0.77 EPHX2 (0.53) MEN1KMT2AEPHX2

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-9169199-B2 Cycloalkyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-10-27 US disclosed