SCHEMBL9499563

SCHEMBL9499563

CON=CC1=CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
MET P08581 1/20 0.36
TSHR P16473 2/20 0.34
GABRR1 P24046 2/20 0.34
BLM P54132 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
RGS12 O14924 1/20 0.34
GABRR2 P28476 1/20 0.34
GNAI1 P63096 1/20 0.34
PMP22 Q01453 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
QDPR P09417 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 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
SCHEMBL12043319 1.00 CHRM2 (0.42) CHRM2CHRM5CHRM1METTSHR
SCHEMBL12043290 0.78 TSHR (0.40) METTSHRGABRR1BLMCYP3A4
SCHEMBL7827160 0.76
SCHEMBL11081134 0.73
SCHEMBL9260377 0.69 CHRM2 (0.50) CHRM2CHRM5CHRM1TSHRBLM
SCHEMBL9260380 0.69 CHRM2 (0.50) CHRM2CHRM5CHRM1TSHRBLM
SCHEMBL9498303 0.69
SCHEMBL4875787 0.69
Hydrochloric Acid SCHEMBL9257070 0.68 CHRM2 (0.49) CHRM2CHRM5CHRM1TSHRBLM
Hydrochloric Acid SCHEMBL9257066 0.68 CHRM2 (0.49) CHRM2CHRM5CHRM1TSHRBLM

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-0271798-B1 O-SUBSTITUTED TETRAHYDROPYRIDINE OXIME CHOLINERGIC AGENTS WARNER-LAMBERT COMPANY (US) 1993-04-07 EP claimed