SCHEMBL11113950

SCHEMBL11113950

CN1CC2=C(C1)c1cc(C#N)ccc1Oc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 1/20 0.39
▸ DRD2 P14416 4/20 0.36
▸ DRD4 P21917 4/20 0.36
▸ HRH4 Q9H3N8 2/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 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
SCHEMBL10956945 0.86 SETD7 (0.50) SETD7DRD2DRD4HRH4TP53
SCHEMBL11116488 0.85 DRD2 (0.36) DRD2DRD4ABCB1MAPT
SCHEMBL11590816 0.78 SETD7 (0.42) SETD7DRD2DRD4HRH4TP53
SCHEMBL11576021 0.76 SETD7 (0.70) SETD7DRD2DRD4HRH4TP53
SCHEMBL11399243 0.76 CA12 (0.40) CASP3CA12CA9
SCHEMBL11589967 0.76 GAA (0.44) SETD7ABCB1CYP1A2MAPTCYP2C19
SCHEMBL11082427 0.75 DRD2 (0.47) SETD7DRD2HRH4CASP3GABRA1
SCHEMBL11081947 0.73 TSHR (0.40) SETD7DRD2DRD4HRH4
Savoxepin SCHEMBL2110369 0.71 DRD2 (0.40) DRD2
SCHEMBL7408056 0.71 HRH4 (0.69) DRD2DRD4HRH4TP53CYP1A2

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
EP-0125484-A1 Polycyclic carboxylic-acid compounds, process for their production, preparations containing such carboxylic-acid compounds and their use CIBA-GEIGY AG (CH) 1984-11-21 — — EP disclosed
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