SCHEMBL9544575

SCHEMBL9544575

COc1cc(Cc2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2)c(OC)c2c1C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.39
TP53 P04637 1/20 0.38
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.36
MCHR1 Q99705 1/20 0.36
MET P08581 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9540822 0.83 THRB (0.46) SLC6A9TP53GAAMEN1KMT2A
SCHEMBL9541768 0.80 ALDH1A1 (0.42) TP53MEN1KMT2AMAPTTSHR
SCHEMBL9540839 0.78 TP53 (0.41) TP53GAAMEN1KMT2AMAPT
SCHEMBL9541760 0.77 TUBB4A (0.51) SLC6A9MEN1KMT2AMAPTTHRB
SCHEMBL9542171 0.75 GAA (0.46) SLC6A9TP53GAACYP1A2CYP3A4
SCHEMBL9199484 0.75 TSHR (0.44) SLC6A9TP53GAACYP1A2CYP3A4
SCHEMBL9584306 0.74 SLC6A9 (0.44) SLC6A9GAACYP1A2CYP3A4CYP2C9
SCHEMBL9542307 0.74 MEN1 (0.42) SLC6A9TP53GAACYP1A2CYP3A4
SCHEMBL10453097 0.74 SLC6A9 (0.51) SLC6A9GAAMEN1KMT2AMAPT
SCHEMBL9544531 0.74 KMT2A (0.37) TP53MEN1KMT2ATSHRNPSR1

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-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed