SCHEMBL7848728

SCHEMBL7848728

c1cnc2c(c1)N(c1ccc3[nH]cc(C[C@H]4CCCN4CC4CC4)c3c1)CN2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRP O00591 14/20 0.55
GABRD O14764 14/20 0.55
GABRA1 P14867 14/20 0.55
GABRB1 P18505 14/20 0.55
GABRG2 P18507 14/20 0.55
GABRB3 P28472 14/20 0.55
GABRA5 P31644 14/20 0.55
GABRA3 P34903 14/20 0.55
GABRA2 P47869 14/20 0.55
GABRB2 P47870 14/20 0.55
GABRA4 P48169 14/20 0.55
GABRE P78334 14/20 0.55
GABRA6 Q16445 14/20 0.55
GABRG1 Q8N1C3 14/20 0.55
GABRG3 Q99928 14/20 0.55
GABRQ Q9UN88 14/20 0.55
HTR1B P28222 6/20 0.41
HTR1D P28221 5/20 0.41
HTR1A P08908 3/20 0.40

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
SCHEMBL7848727 1.00 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7366011 0.86 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7366014 0.86 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7367554 0.79 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7367559 0.79 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7852359 0.78 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7368046 0.75 HTR1D (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8885806 0.75 SLC6A4 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8473966 0.74 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7367560 0.73 HTR1A (0.64) 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 2 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 disclosed
EP-1094064-A1 5-arylindolederivatives and their use as serotonin(5-ht1)agonists PFIZER INC. (US) 2001-04-25 EP disclosed