SCHEMBL27935103

SCHEMBL27935103

NC(=O)C(CCn1cccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.50
CHRM2 P08172 7/20 0.50
CHRM1 P11229 2/20 0.50
KCNH2 Q12809 2/20 0.50
LMNA P02545 1/20 0.50
CYP2D6 P10635 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
OPRM1 P35372 2/20 0.43
OPRD1 P41143 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39

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
SCHEMBL28483654 0.77 CHRM3 (0.45) CHRM3CHRM2CHRM1KCNH2LMNA
SCHEMBL10524246 0.77 CHRM3 (0.57) CHRM3CHRM2CHRM1KCNH2LMNA
Fenpipramide SCHEMBL149504 0.76 CHRM2 (0.60) CHRM3CHRM2CHRM1KCNH2LMNA
SCHEMBL219257 0.76 CHRM2 (0.60) CHRM3CHRM2CHRM1KCNH2LMNA
SCHEMBL9295790 0.75 CHRM3 (0.59) CHRM3CHRM2CHRM1KCNH2LMNA
SCHEMBL10392372 0.75 CHRM3 (0.55) CHRM3CHRM2CHRM1KCNH2LMNA
SCHEMBL4153935 0.75 CHRM3 (0.55) CHRM3CHRM2CHRM1KCNH2LMNA
SCHEMBL27963558 0.75 CHRM3 (0.55) CHRM3CHRM2CHRM1KCNH2LMNA
Fenpipramide SCHEMBL7558279 0.75 CHRM2 (0.59) CHRM3CHRM2CHRM1KCNH2LMNA
SCHEMBL11714181 0.74 CHRM3 (0.53) CHRM3CHRM2CHRM1KCNH2LMNA

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
CN-103274983-A Pyrrole derivatives and preparation method thereof ZHU XUEQI 2013-09-04 CN disclosed