SCHEMBL7368046

SCHEMBL7368046

NCCc1c[nH]c2ccc(N3CNc4ncccc43)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.48
HTR1A P08908 11/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
HTR1B P28222 9/20 0.45
HTR2A P28223 7/20 0.45

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
SCHEMBL7367560 0.87 HTR1A (0.64) HTR1DHTR1AGABRPGABRDGABRA1
SCHEMBL7367559 0.79 GABRP (0.67) HTR1DHTR1AGABRPGABRDGABRA1
SCHEMBL7367554 0.79 GABRP (0.67) HTR1DHTR1AGABRPGABRDGABRA1
SCHEMBL7366014 0.77 GABRP (0.68) HTR1DHTR1AGABRPGABRDGABRA1
SCHEMBL7366011 0.77 GABRP (0.68) HTR1DHTR1AGABRPGABRDGABRA1
SCHEMBL7370973 0.75 GABRP (0.49) HTR1DHTR1AGABRPGABRDGABRA1
SCHEMBL7848728 0.75 GABRP (0.55) HTR1DHTR1AGABRPGABRDGABRA1
SCHEMBL7848727 0.75 GABRP (0.55) HTR1DHTR1AGABRPGABRDGABRA1
SCHEMBL7407636 0.71 LMNA (0.39) HTR2CHTR2BCYP3A4CYP2D6TSHR
SCHEMBL8118432 0.71 HTR1D (0.70) HTR1DHTR1BHTR2ATRPM8MPO

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
EP-0666858-B1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1) AGONISTS PFIZER (US) 2001-06-13 EP claimed
EP-1094064-A1 5-arylindolederivatives and their use as serotonin(5-ht1)agonists PFIZER INC. (US) 2001-04-25 EP claimed
EP-0666858-A1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1?) AGONISTS PFIZER INC. (US) 1995-08-16 EP claimed
WO-1994010171-A1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT1) AGONISTS PFIZER INC. (US) 1994-05-11 WO claimed
EP-0666858-B1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1) AGONISTS PFIZER (US) 2001-06-13 EP disclosed
EP-1094064-A1 5-arylindolederivatives and their use as serotonin(5-ht1)agonists PFIZER INC. (US) 2001-04-25 EP disclosed
EP-0666858-A1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1?) AGONISTS PFIZER INC. (US) 1995-08-16 EP disclosed
WO-1994010171-A1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT1) AGONISTS PFIZER INC. (US) 1994-05-11 WO disclosed