SCHEMBL8100376

SCHEMBL8100376

N#Cc1cncc(-c2ccc3[nH]cc(C4CCNC4)c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
HTR1A P08908 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL8098633 0.84 PIM1 (0.49) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL8545772 0.83 GABRP (0.45) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL8091126 0.81 GABRP (0.56) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL8304104 0.81 SLC6A4 (0.64) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL8106878 0.76 GABRP (0.55) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL8301752 0.74 IDO1 (0.53) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL2270899 0.73 SLC6A4 (0.67) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL31328282 0.71 SLC6A4 (0.56) SLC6A4HTR1AHTR2AAPPADRB2
SCHEMBL1445394 0.71 GABRP (0.54) SLC6A4GABRPGABRDGABRA1GABRB1
SCHEMBL5453495 0.71 SLC6A4 (0.56) SLC6A4HTR1ADRD1SLC6A2HTR1B

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 7 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
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
US-5942524-A 5-arylindole derivatives PFIZER INC. (US) 1999-08-24 US disclosed
EP-0716649-B1 5-ARYLINDOLE DERIVATIVES PFIZER (US) 1998-09-09 EP disclosed
WO-1995006636-A1 5-ARYLINDOLE DERIVATIVES PFIZER INC. (US) 1995-03-09 WO disclosed