SCHEMBL9344937

SCHEMBL9344937

CCCCCN1CCC(CCO)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 3/20 0.50
GNAI3 P08754 2/20 0.46
GNAI1 P63096 2/20 0.46
BCHE P06276 4/20 0.46
KCNH2 Q12809 1/20 0.44
GBA1 P04062 1/20 0.44
HTR1A P08908 6/20 0.43
DRD1 P21728 6/20 0.43
DRD4 P21917 6/20 0.43
DRD5 P21918 6/20 0.43
DRD3 P35462 6/20 0.43
GUSB P08236 2/20 0.43
DRD2 P14416 5/20 0.43

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
SCHEMBL7316173 0.89 GNAO1 (0.61) GNAO1GNAI3GNAI1KCNH2HTR1A
SCHEMBL21160746 0.89 GNAO1 (0.50) GNAO1GNAI3GNAI1BCHEKCNH2
SCHEMBL7738066 0.88 GNAO1 (0.64) GNAO1GNAI3GNAI1KCNH2GBA1
SCHEMBL7319420 0.88 GNAO1 (0.64) GNAO1GNAI3GNAI1KCNH2GBA1
SCHEMBL24711785 0.87 GNAO1 (0.54) GNAO1GNAI3GNAI1BCHEKCNH2
SCHEMBL25531092 0.87 GBA1 (0.41) GNAO1GBA1DRD1DRD4DRD5
Fluoride SCHEMBL30330671 0.86 GNAO1 (0.53) GNAO1GNAI3GNAI1BCHEKCNH2
SCHEMBL21370302 0.86 GNAO1 (0.57) GNAO1GNAI3GNAI1BCHEKCNH2
Hydrochloric Acid SCHEMBL30330945 0.86 GNAO1 (0.57) GNAO1GNAI3GNAI1BCHEKCNH2
SCHEMBL9368277 0.86 GNAO1 (0.53) GNAO1GNAI3GNAI1BCHEKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600955-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-06-15 EP disclosed
EP-0589971-A1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-04-06 EP disclosed
WO-1993003725-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-04 WO disclosed
WO-1992022527-A2 3-SUBSTITUTED PYRROLIDINE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1992-12-23 WO disclosed