SCHEMBL9759300

SCHEMBL9759300

CC(CN1CCCC1)N1c2ccccc2Sc2ccc(C(=S)NCC3CCC3)c(OC(=O)/C=C/C(=O)Oc3c(C(=S)NCC4CCC4)ccc4c3N(C(C)CN3CCCC3)c3ccccc3S4)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.35
BCHE P06276 4/20 0.33
ACHE P22303 2/20 0.33
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
GFER P55789 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD1 P21728 1/20 0.32
HRH2 P25021 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL9759438 0.92 FPR2 (0.36) FPR2BCHEACHEALDH1A1USP2
SCHEMBL9759341 0.81 BCHE (0.37) BCHEACHE
SCHEMBL9759623 0.80 KMT2A (0.38) BCHEACHEKMT2A
Fumaric Acid SCHEMBL9759309 0.79 FPR2 (0.39) FPR2BCHEACHEALDH1A1USP2
Fumaric Acid SCHEMBL9759296 0.79 FPR2 (0.39) FPR2BCHEACHEALDH1A1USP2
SCHEMBL9334249 0.77 FPR2 (0.39) FPR2BCHEACHEALDH1A1USP2
SCHEMBL9331477 0.74 BCHE (0.44) FPR2BCHEACHEALDH1A1USP2
SCHEMBL9331556 0.74 BCHE (0.44) FPR2BCHEACHEALDH1A1USP2
SCHEMBL9759380 0.74 BCHE (0.35) BCHEACHEGFERCHRM2CHRM4
SCHEMBL9758786 0.74 KMT2A (0.39) BCHEACHEALDH1A1MEN1KMT2A

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-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed