Isoguvacine

Isoguvacine

SCHEMBL5754963

O=C(O)C1=CCN(c2ncccc2Cl)CC1.O=C(O)C1=CCNCC1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.57
RORC P51449 1/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
TSHR P16473 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRR1 P24046 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 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
SCHEMBL1253664 0.90 TRPV1 (0.67) TRPV1RORCMALT1TRPA1
SCHEMBL10323758 0.81 TRPV1 (0.69) TRPV1RORCMALT1TRPA1
SCHEMBL12909884 0.79 TRPV1 (0.66) TRPV1RORCMALT1TRPA1
SCHEMBL4546343 0.76 TRPV1 (0.85) TRPV1MALT1
SCHEMBL2841920 0.75 TRPV1 (0.61) TRPV1RORC
SCHEMBL5624825 0.74 TRPV1 (0.58) TRPV1RORCTRPA1
SCHEMBL4873173 0.73 TRPV1 (0.84) TRPV1
SCHEMBL4868027 0.72 TRPV1 (1.00) TRPV1
SCHEMBL4869683 0.72 TRPV1 (0.82) TRPV1
SCHEMBL1250889 0.72 TRPV1 (0.68) TRPV1RORC

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-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP disclosed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO disclosed