SCHEMBL11116488

SCHEMBL11116488

CCN1CC2=C(C1)c1cc(C#N)ccc1Oc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.36
▸ DRD3 P35462 7/20 0.36
▸ DRD4 P21917 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL11113950 0.85 SETD7 (0.39) DRD2DRD4ABCB1MAPT
SCHEMBL11591416 0.80 DRD2 (0.38) DRD2DRD3DRD4ESR1ESR2
SCHEMBL10956945 0.78 SETD7 (0.50) DRD2DRD3DRD4HTR2AHTR2C
SCHEMBL11632788 0.78 GAA (0.41) DRD2DRD4ABCB1HTR2AHTR2C
SCHEMBL11399919 0.77 LMNA (0.45) DRD2DRD3HRH3MAPT
SCHEMBL11590250 0.74 ALDH1A1 (0.46) KDM4EMEN1ALDH1A1MAPTKMT2A
Savoxepin SCHEMBL2110369 0.73 DRD2 (0.40) DRD2DRD3MEN1
SCHEMBL11399243 0.73 CA12 (0.40) ALDH1A1
SCHEMBL11400336 0.71 LMNA (0.47) DRD2DRD3MAPT
SCHEMBL11088273 0.70 GSK3B (0.36) HTR2AHTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007450-A1 Azatetracyclic carbonitriles, their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1980-02-06 — — EP claimed
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
US-4263315-A TRANQUILLIZERS; SEDATIVES; ANTAGONIST FOR STIMULANTS CIBA-GEIGY CORPORATION (US) 1981-04-21 — — US disclosed
EP-0007450-A1 Azatetracyclic carbonitriles, their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1980-02-06 — — EP disclosed
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