SCHEMBL8070848

SCHEMBL8070848

CC1=NC(CCC(C(N)=O)(c2ccccc2)c2ccccc2)CN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.43
CHRM2 P08172 7/20 0.43
KCNH2 Q12809 2/20 0.43
CHRM1 P11229 2/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
PGR P06401 1/20 0.40
THRB P10828 1/20 0.40
ADRB3 P13945 1/20 0.40
OPRK1 P41145 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
PDE3A Q14432 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL8075621 0.81 CHRM3 (0.36) CHRM3CHRM2KCNH2CHRM1CYP2D6
SCHEMBL9295790 0.68 CHRM3 (0.59) CHRM3CHRM2KCNH2CHRM1LMNA
SCHEMBL2341114 0.68 CHRM3 (0.46) CHRM3CHRM2KCNH2CHRM1LMNA
SCHEMBL2205198 0.67 CHRM3 (0.51) CHRM3CHRM2KCNH2CHRM1LMNA
SCHEMBL8880729 0.67 KMT2A (0.47) CHRM3CHRM2KCNH2CHRM1LMNA
Hydrochloric Acid SCHEMBL5521545 0.67 CHRM3 (0.45) CHRM3CHRM2KCNH2CHRM1LMNA
SCHEMBL10524246 0.66 CHRM3 (0.57) CHRM3CHRM2KCNH2CHRM1LMNA
SCHEMBL4758054 0.66 CHRM3 (0.49) CHRM3CHRM2KCNH2CHRM1LMNA
Hydrochloric Acid SCHEMBL8879883 0.66 KMT2A (0.49) CHRM3CHRM2KCNH2CHRM1LMNA
SCHEMBL2984162 0.66 CHRM3 (0.56) CHRM3CHRM2KCNH2CHRM1LMNA

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-1020449-A1 IMIDAZOLINE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-07-19 EP claimed
EP-1020449-A1 IMIDAZOLINE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-07-19 EP disclosed