SCHEMBL7367559

SCHEMBL7367559

c1cnc2c(c1)N(c1ccc3[nH]cc(C[C@H]4CCCN4)c3c1)CN2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.67
GABRD O14764 2/20 0.67
GABRA1 P14867 2/20 0.67
GABRB1 P18505 2/20 0.67
GABRG2 P18507 2/20 0.67
GABRB3 P28472 2/20 0.67
GABRA5 P31644 2/20 0.67
GABRA3 P34903 2/20 0.67
GABRA2 P47869 2/20 0.67
GABRB2 P47870 2/20 0.67
GABRA4 P48169 2/20 0.67
GABRE P78334 2/20 0.67
GABRA6 Q16445 2/20 0.67
GABRG1 Q8N1C3 2/20 0.67
GABRG3 Q99928 2/20 0.67
GABRQ Q9UN88 2/20 0.67
HTR6 P50406 17/20 0.52
HTR1A P08908 2/20 0.44
HTR1B P28222 2/20 0.44
HTR2C P28335 2/20 0.44

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
SCHEMBL7367554 1.00 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7366014 0.81 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7366011 0.81 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7848727 0.79 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7848728 0.79 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7368046 0.79 HTR1D (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7367560 0.77 HTR1A (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9021598 0.76 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7805931 0.76 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7370973 0.76 GABRP (0.49) 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
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