SCHEMBL8106878

SCHEMBL8106878

COCCN1CCC(c2c[nH]c3ccc(-c4cncc(C#N)c4)cc23)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.55
GABRD O14764 2/20 0.55
GABRA1 P14867 2/20 0.55
GABRB1 P18505 2/20 0.55
GABRG2 P18507 2/20 0.55
GABRB3 P28472 2/20 0.55
GABRA5 P31644 2/20 0.55
GABRA3 P34903 2/20 0.55
GABRA2 P47869 2/20 0.55
GABRB2 P47870 2/20 0.55
GABRA4 P48169 2/20 0.55
GABRE P78334 2/20 0.55
GABRA6 Q16445 2/20 0.55
GABRG1 Q8N1C3 2/20 0.55
GABRG3 Q99928 2/20 0.55
GABRQ Q9UN88 2/20 0.55
KCNH2 Q12809 1/20 0.46
GSK3B P49841 2/20 0.42
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41

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
SCHEMBL8091126 0.86 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8099792 0.86 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8100376 0.76 SLC6A4 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8099607 0.73 PIM1 (0.45) SLC6A4CYP2D6
SCHEMBL8097614 0.71 KDM4E (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8303545 0.69 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL9118246 0.69 HTR1D (0.55) HTR1ACYP2D6
SCHEMBL27426649 0.68 PRMT5 (0.35) CYP2D6
SCHEMBL8820614 0.68 SLC6A4 (0.60) KCNH2HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6387958 0.68 KCNH2 (0.63) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942524-A 5-arylindole derivatives PFIZER INC. (US) 1999-08-24 US claimed
EP-0716649-B1 5-ARYLINDOLE DERIVATIVES PFIZER (US) 1998-09-09 EP claimed
WO-1995006636-A1 5-ARYLINDOLE DERIVATIVES PFIZER INC. (US) 1995-03-09 WO claimed
US-6093822-A 5-arylindole derivatives PFIZER INC. (US) 2000-07-25 US disclosed
US-5994352-A 5-arylindole derivatives PFIZER INC. (US) 1999-11-30 US disclosed
EP-0716649-B1 5-ARYLINDOLE DERIVATIVES PFIZER (US) 1998-09-09 EP disclosed
EP-0716649-A1 5-ARYLINDOLE DERIVATIVES PFIZER INC. (US) 1996-06-19 EP disclosed
WO-1995006636-A1 5-ARYLINDOLE DERIVATIVES PFIZER INC. (US) 1995-03-09 WO disclosed