SCHEMBL8124604

SCHEMBL8124604

CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ccc(Nc4ccc([N+](=O)[O-])cn4)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
GABRA4 P48169 1/20 0.53
GABRE P78334 1/20 0.53
GABRA6 Q16445 1/20 0.53
GABRG1 Q8N1C3 1/20 0.53
GABRG3 Q99928 1/20 0.53
GABRQ Q9UN88 1/20 0.53
SLC6A4 P31645 1/20 0.49
JAK1 P23458 1/20 0.46
CNR1 P21554 1/20 0.42
MAPT P10636 4/20 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
SCHEMBL1228350 0.86 SLC6A4 (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8126226 0.84 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8923190 0.84 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8113433 0.83 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12286535 0.81 SLC6A4 (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7852403 0.79 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8119243 0.77 HTR6 (0.47) SLC6A4MAPTMEN1KMT2ALMNA
SCHEMBL6215935 0.76 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8613887 0.76 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL892861 0.75 GABRP (0.62) 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-0619805-B1 5-(HETERO- OR CARBOCYCLYLAMINO)-INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1 AGONISTS PFIZER (US) 2000-03-15 EP disclosed
US-5639752-A SEROTONIN AGONIST PFIZER INC (US) 1997-06-17 US disclosed