SCHEMBL7092917

SCHEMBL7092917

CCC(Cc1c[nH]c2ccccc12)(Nc1nc(-c2ccccc2)co1)C(=O)NC(c1ccc(OC)cn1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.37
FPR2 P25090 2/20 0.37
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
TACR1 P25103 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
NMBR P28336 3/20 0.36
GRPR P30550 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
AIMP2 Q13155 1/20 0.34
GHSR Q92847 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6253307 0.92 TACR1 (0.41) FPR1FPR2TACR1TP53POLB
SCHEMBL6253540 0.87 NMBR (0.38) FPR1FPR2TACR1TP53POLB
SCHEMBL6252251 0.85 NMBR (0.48) FPR1TACR1NMBRGRPR
SCHEMBL6252419 0.83 TACR1 (0.40) FPR1FPR2TACR1NMBRGRPR
SCHEMBL6251353 0.81 MEN1 (0.35) MMP2KMT2A
SCHEMBL7092916 0.81 NMBR (0.54) FPR1FPR2NMBRGRPR
SCHEMBL7636672 0.80 GHSR (0.44) FPR1FPR2TACR1TP53POLB
SCHEMBL6718194 0.80 GHSR (0.44) FPR1FPR2TACR1TP53POLB
SCHEMBL6251031 0.74 ALDH1A1 (0.37) FPR1MAPTNMBRGRPRKMT2A
SCHEMBL6994303 0.74 ALDH1A1 (0.37) FPR1MAPTNMBRGRPRKMT2A

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
EP-1334102-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-08-13 EP disclosed
WO-2002040475-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed