SCHEMBL8926442

SCHEMBL8926442

CCCCCOc1ccc2[nH]cc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
GABRA1 P14867 1/20 0.58
GABRB1 P18505 1/20 0.58
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA5 P31644 1/20 0.58
GABRA3 P34903 1/20 0.58
GABRA2 P47869 1/20 0.58
GABRB2 P47870 1/20 0.58
GABRA4 P48169 1/20 0.58
GABRE P78334 1/20 0.58
GABRA6 Q16445 1/20 0.58
GABRG1 Q8N1C3 1/20 0.58
GABRG3 Q99928 1/20 0.58
GABRQ Q9UN88 1/20 0.58
HTR1A P08908 6/20 0.49
DRD2 P14416 5/20 0.49
HTR2A P28223 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL6811482 0.86 SLC6A4 (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8139548 0.84 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2268431 0.82 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8613887 0.82 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL892861 0.81 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3222980 0.81 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1231869 0.81 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12285689 0.81 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30567971 0.81 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8925107 0.80 GABRP (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639752-A SEROTONIN AGONIST PFIZER INC (US) 1997-06-17 US disclosed