SCHEMBL14671128

SCHEMBL14671128

O=C(O)Cc1ccc(CI)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.58
GABRD O14764 2/20 0.58
GABRA1 P14867 2/20 0.58
GABRB1 P18505 2/20 0.58
GABRG2 P18507 2/20 0.58
GABRB3 P28472 2/20 0.58
GABRA5 P31644 2/20 0.58
GABRA3 P34903 2/20 0.58
GABRA2 P47869 2/20 0.58
GABRB2 P47870 2/20 0.58
GABRA4 P48169 2/20 0.58
GABRE P78334 2/20 0.58
GABRA6 Q16445 2/20 0.58
GABRG1 Q8N1C3 2/20 0.58
GABRG3 Q99928 2/20 0.58
GABRQ Q9UN88 2/20 0.58
P4HTM Q9NXG6 2/20 0.58
NAPRT Q6XQN6 1/20 0.46
CA2 P00918 2/20 0.44
CAMK2A Q9UQM7 1/20 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
SCHEMBL29108372 0.83 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12303329 0.81 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27544709 0.81 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7003732 0.79 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5740064 0.79 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29280930 0.77 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6935249 0.77 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11582051 0.77 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2994079 0.77 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30452680 0.77 GABRP (0.61) 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
WO-2013013815-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-01-31 WO disclosed