SCHEMBL18230368

SCHEMBL18230368

CC(C)N1CCN(c2ccc(-c3nc(NC(=O)c4ccc(C(F)(F)F)cc4)sc3C(F)(F)F)nc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.46
▸ LRRK2 Q5S007 2/20 0.45
▸ F12 P00748 2/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ BRAF P15056 2/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ LCK P06239 1/20 0.39
▸ HCK P08631 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ STAT3 P40763 1/20 0.39

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
SCHEMBL18230428 0.89 MAPT (0.46) LRRK2SMN1; SMN2TRPV1LCKHCK
SCHEMBL18230388 0.86 LRRK2 (0.61) LRRK2SMN1; SMN2MAPTSTAT3
SCHEMBL18230481 0.77 STAT3 (0.47) SMN1; SMN2TRPV1MAPTSTAT3
SCHEMBL18094555 0.75 SMN1; SMN2 (0.52) LRRK2SMN1; SMN2LCKHCKSRC
SCHEMBL18230378 0.75 MPL (0.49) TRPV1STAT3
SCHEMBL18094571 0.73 LRRK2 (0.46) LRRK2SMN1; SMN2KDRMAPTSTAT3
SCHEMBL18230521 0.73 TRPV1 (0.59) F12SMN1; SMN2TRPV1MAPTSTAT3
SCHEMBL18094563 0.72 LRRK2 (0.45) LRRK2SMN1; SMN2KDRMAPTSTAT3
SCHEMBL18094547 0.71 LRRK2 (0.57) LRRK2SMN1; SMN2MAPTSTAT3
SCHEMBL18094562 0.71 MAOB (0.45) LRRK2SMN1; SMN2BRAFMAPTSTAT3

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
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
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