SCHEMBL9023345

SCHEMBL9023345

N[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
USP2 O75604 1/20 0.51
OPRK1 P41145 5/20 0.50
ALDH1A1 P00352 3/20 0.49
PLA2G1B P04054 1/20 0.47
ALPL P05186 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
KCNH2 Q12809 3/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46

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
SCHEMBL20967986 1.00 CHRM2 (0.54) CHRM2CHRM4CHRM5LMNAKMT2A
SCHEMBL8120312 1.00 CHRM2 (0.54) CHRM2CHRM4CHRM5LMNAKMT2A
SCHEMBL21772974 0.93 CHRM2 (0.58) CHRM2CHRM4CHRM5KMT2AL3MBTL1
SCHEMBL21777244 0.93 CHRM2 (0.58) CHRM2CHRM4CHRM5KMT2AL3MBTL1
SCHEMBL168286 0.93 CHRM2 (0.58) CHRM2CHRM4CHRM5KMT2AL3MBTL1
SCHEMBL15021133 0.93 CHRM2 (0.58) CHRM2CHRM4CHRM5KMT2AL3MBTL1
SCHEMBL168287 0.93 CHRM2 (0.58) CHRM2CHRM4CHRM5KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4995917 0.91 CHRM2 (0.61) CHRM2CHRM4CHRM5KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4020237 0.90 CHRM2 (0.59) CHRM2CHRM4CHRM5KMT2AL3MBTL1
SCHEMBL21266577 0.87 CHRM2 (0.65) CHRM2CHRM4CHRM5LMNAKMT2A

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-0640601-B1 BENZAMIDE DERIVATIVE HOKURIKU PHARMACEUTICAL (JP) 1996-12-04 EP disclosed
US-5500422-A FOR TREATING GASTROINTESTINAL DISEASES HOKURIKU SEIYAKU CO. LTD. (JP) 1996-03-19 US disclosed
US-5395832-A Gastrointestinal disorders HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-07 US disclosed
EP-0640601-A1 BENZAMIDE DERIVATIVE HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-01 EP disclosed