SCHEMBL27723971

SCHEMBL27723971

CCc1ccc(N)c(CC)c1NC(=O)N(CCc1ccc(C)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
RAB9A P51151 2/20 0.32
EPHX2 P34913 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
CACNA1H O95180 1/20 0.32
UTS2R Q9UKP6 3/20 0.31
F10 P00742 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
THRB P10828 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
SCHEMBL4592616 0.91 RAB9A (0.40) CNR2EGFRERBB2RAB9APPARG
SCHEMBL27723965 0.91 MEN1 (0.33) CNR2EPHX2TP53
SCHEMBL4592431 0.90 CNR2 (0.38) MAPTCNR1CNR2LMNATP53
SCHEMBL28773080 0.89 UTS2R (0.37) MAPTEGFRERBB2UTS2RTP53
SCHEMBL4592518 0.87 CYP3A4 (0.34) MAPTCNR1CNR2EGFRERBB2
SCHEMBL4592138 0.82 CNR2 (0.34) MAPTCNR1CNR2LMNATP53
SCHEMBL4592314 0.82 ALOX5 (0.34) MAPTCNR1CNR2EGFRERBB2
SCHEMBL4592556 0.82 ALOX5 (0.34) MAPTCNR1CNR2EGFRERBB2
SCHEMBL4592307 0.82 ALOX5 (0.34) MAPTCNR1CNR2EGFRERBB2
SCHEMBL4592810 0.82 UTS2R (0.35) CNR2UTS2RTHRB

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
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN claimed
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN disclosed