SCHEMBL8940610

SCHEMBL8940610

COc1c(COc2cccc(Cl)c2Cl)ccc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.45
▸ ADRA1D P25100 2/20 0.45
▸ ADRA1A P35348 2/20 0.45
▸ ADRA1B P35368 2/20 0.45
▸ ABCB1 P08183 3/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ MRGPRX4 Q96LA9 2/20 0.43
▸ CARM1 Q86X55 1/20 0.40
▸ FABP4 P15090 3/20 0.40
▸ FABP5 Q01469 3/20 0.40
▸ P2RX7 Q99572 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13794224 0.74 TP53 (0.49) HTR1AADRA1DADRA1AADRA1BMRGPRX4
SCHEMBL78713 0.71 CA12 (0.50) P2RX7TP53CYP3A4TSHRALDH1A1
SCHEMBL30772335 0.71 CA12 (0.50) P2RX7TP53CYP3A4TSHRALDH1A1
SCHEMBL2558213 0.71 ENPP2 (0.50) HTR1AADRA1DADRA1AADRA1BMRGPRX4
SCHEMBL12894383 0.71 CARM1 (0.45) HTR1AADRA1DADRA1AADRA1BMRGPRX4
SCHEMBL9819251 0.71 ALDH1A1 (0.46) MRGPRX4TP53CYP1A2CYP3A4CYP2D6
SCHEMBL30139648 0.71 PNMT (0.47) TSHRALDH1A1SMN1; SMN2IDO1
SCHEMBL1547751 0.70 L3MBTL1 (0.54) MRGPRX4P2RX7TP53CYP1A2CYP3A4
Fluoride SCHEMBL28106604 0.69 CA12 (0.48) P2RX7TP53CYP3A4TSHRALDH1A1
SCHEMBL22402260 0.68 MRGPRX4 (0.45) MRGPRX4FABP4FABP5CYP1A2CYP2D6

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-0700384-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER (US) 1996-03-13 — — EP disclosed
WO-1994027966-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER INC. (US) 1994-12-08 — — WO disclosed
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