SCHEMBL7788149

SCHEMBL7788149

Cc1cnc(C(=O)O)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
HCAR2 Q8TDS4 4/20 0.38
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37

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
SCHEMBL7666078 0.83 LDHA (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1747657 0.83 CYP3A4 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1769880 0.83 KDM4E (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11711252 0.82 CCR1 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7672020 0.81 HCAR2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL600482 0.80 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29827533 0.80 PARP1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20555873 0.80 PARP1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22890059 0.78 LRRK2 (0.45)
SCHEMBL28180665 0.78 AGXT (0.45) 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
EP-0744395-B1 PROCESS FOR PRODUCING DIMETHYLAMINE MITSUBISHI RAYON CO (JP) 2001-10-31 EP claimed