SCHEMBL6461604

SCHEMBL6461604

CC(C)(CCO)OC(=O)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
PMP22 Q01453 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33

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
SCHEMBL1230823 0.92 GABRA5 (0.34) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL1376080 0.88 GABRP (0.41) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL8908671 0.85 GABRP (0.38) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL2423420 0.85 GABRP (0.38) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL16051286 0.84 GABRP (0.41) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL363474 0.84 GABRP (0.41) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL28056841 0.84 TSHR (0.41) GABRPGABRDGABRA1TSHRGABRB1
Hydrochloric Acid SCHEMBL16054755 0.83 GABRP (0.39) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL8041931 0.83 GABRP (0.39) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL4438483 0.82 GABRP (0.36) GABRPGABRDGABRA1TSHRGABRB1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110803-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Mutabilis (FR) 2017-01-04 EP disclosed
WO-2015128333-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LABORATOIRE BIODIM (FR) 2015-09-03 WO disclosed
EP-1575946-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004058752-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2004-07-15 WO disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO disclosed