SCHEMBL8883095

SCHEMBL8883095

CCCCCCC(CCCCCC)NC(=O)c1ccc2c3cccc4c(Br)ccc(c5ccc(C(N)=O)c1c52)c43

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 4/20 0.35
▸ TAS1R1 Q7RTX1 4/20 0.35
▸ ALOX5 P09917 3/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ TACR3 P29371 1/20 0.35
▸ CNR1 P21554 4/20 0.34
▸ CNR2 P34972 4/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL8883099 0.89 TAS1R3 (0.39) TAS1R3TAS1R1ALOX5TACR3CNR1
SCHEMBL8883577 0.89 TAS1R3 (0.36) TAS1R3TAS1R1ALOX5RPS6KB1TACR3
SCHEMBL8885183 0.84 SMN1; SMN2 (0.43) TAS1R3TAS1R1ALOX5RPS6KB1TACR3
SCHEMBL8975870 0.83 TAS1R3 (0.38) TAS1R3TAS1R1ALOX5TACR3MEN1
SCHEMBL8975448 0.81 TAS1R3 (0.37) TAS1R3TAS1R1ALOX5RPS6KB1TACR3
SCHEMBL4313304 0.79 TACR3 (0.41) TAS1R3TAS1R1ALOX5TACR3CNR1
SCHEMBL1897757 0.79 ALDH1A1 (0.40) TAS1R3TAS1R1TACR3CNR2
SCHEMBL31373087 0.79 ALDH1A1 (0.40) TAS1R3TAS1R1TACR3CNR2
SCHEMBL3623844 0.77 TACR3 (0.37) TAS1R3TAS1R1ALOX5TACR3CNR1
SCHEMBL1566660 0.73 KMT2A (0.44) MEN1LMNAKMT2A

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-5650513-A Process for preparing perylene-3,4-dicarboxylic acid derivatives, the derivatives thus prepared and their use CIBA-GEIGY CORPORATION (US) 1997-07-22 — — US disclosed
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