SCHEMBL8986973

SCHEMBL8986973

COC(=O)C(C)(C)CCCCNc1cc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 16/20 0.55
ACACA Q13085 1/20 0.43
MEN1 O00255 1/20 0.43
GBA1 P04062 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8987323 0.90 LTB4R (0.64) LTB4R
SCHEMBL8987177 0.82 LTB4R (0.82) LTB4R
SCHEMBL8987143 0.80 LTB4R (0.54) LTB4RACACAMEN1MAPTKMT2A
SCHEMBL8987393 0.76 LTB4R (0.83) LTB4R
SCHEMBL8987181 0.76 LTB4R (0.86) LTB4R
SCHEMBL8987156 0.76 LTB4R (0.84) LTB4R
SCHEMBL8987282 0.76 LTB4R (0.83) LTB4R
SCHEMBL8987213 0.76 LTB4R (0.83) LTB4R
SCHEMBL8987327 0.76 LTB4R (0.85) LTB4RACACA
SCHEMBL8987258 0.76 LTB4R (0.71) LTB4R

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
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed