SCHEMBL4437324

SCHEMBL4437324

CC(O)(c1ccccc1)N1CC[N+](C)(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.50
CHRM2 P08172 6/20 0.50
CHRM1 P11229 6/20 0.50
CHRM4 P08173 4/20 0.50
CHRM5 P08912 4/20 0.50
CHRNA4 P43681 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
CHRNB2 P17787 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KCNH2 Q12809 2/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
APOBEC3A P31941 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 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
SCHEMBL11638601 0.85 CYP2B6 (0.50) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL6552278 0.81 CYP2B6 (0.62) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL11541847 0.76 SMN1; SMN2 (0.54) CYP3A4MEN1KMT2ASMN1; SMN2CYP2B6
SCHEMBL5139721 0.76 OPRD1 (0.49) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL16079079 0.71 DRD2 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL7834385 0.69 L3MBTL1 (0.42) CHRM3CHRM2CYP2B6LMNA
SCHEMBL10587965 0.68 CARM1 (0.50) CHRM3CHRM2CHRM1CYP3A4KCNH2
SCHEMBL10438560 0.67 DRD2 (0.56) CYP3A4MEN1POLBKMT2ASMN1; SMN2
SCHEMBL16076524 0.66 CHRNB4 (0.39) CHRM3CHRM2CHRM1CHRM4CHRM5
Dimethylphenylpiperazinium SCHEMBL3453554 0.65 CHRNA7 (1.00) CHRNA4CYP3A4ALOX15CHRNB2NFKB1

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-2026807-A1 USE OF PARASYMPATHOLYTIC SUBSTANCES TO ENHANCE AND ACCELERATE STEM CELL DIFFERENTIATION, RELATED METHOD AND COMPOSITIONS Universita' Degli Studi di Torino (IT) 2009-02-25 EP disclosed
WO-2007135574-A1 USE OF PARASYMPATHOLYTIC SUBSTANCES TO ENHANCE AND ACCELERATE STEM CELL DIFFERENTIATION, RELATED METHOD AND COMPOSITIONS UNIVERSITA' DEGLI STUDI DI TORINO (IT) 2007-11-29 WO disclosed