SCHEMBL19033765

SCHEMBL19033765

Cc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.53
FAAH O00519 7/20 0.48
TRPV1 Q8NER1 5/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PSMB8 P28062 1/20 0.41
CYP17A1 P05093 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8347084 0.93 FAAH (0.57) GHSRFAAHTRPV1CYP3A4CYP2C9
SCHEMBL6235125 0.88 FAAH (0.56) GHSRFAAHTRPV1NPC1RAB9A
SCHEMBL19033766 0.84 GHSR (0.41) GHSRFAAHTRPV1CYP3A4CYP2C9
SCHEMBL25890301 0.83 FPR2 (0.56) GHSRFAAHTRPV1PSMB8
SCHEMBL16512497 0.83 FAAH (0.51) GHSRFAAHTRPV1PSMB8CYP17A1
SCHEMBL6268190 0.83 FAAH (0.63) GHSRFAAHTRPV1
SCHEMBL25384603 0.82 FAAH (0.62) GHSRFAAHTRPV1ALDH1A1
SCHEMBL31075550 0.82 FAAH (0.65) GHSRFAAHTRPV1LMNAALDH1A1
SCHEMBL6239518 0.82 FAAH (0.65) GHSRFAAHTRPV1
SCHEMBL16512496 0.82 FAAH (0.53) GHSRFAAHTRPV1

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-9688668-B2 Long chain base sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-06-27 US disclosed