SCHEMBL6664102

SCHEMBL6664102

CNCCC=Cc1ccc(NC(C)=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 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
SCHEMBL12678593 0.77 SMN1; SMN2 (0.46) MEN1KMT2ACYP2C19TSHRTUBB4A
SCHEMBL6660066 0.76 KDM4E (0.50) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL27949248 0.76 SMN1; SMN2 (0.47) MEN1KMT2ACYP2C19TSHRTUBB4A
SCHEMBL9000935 0.75 SMN1; SMN2 (0.43) MEN1KMT2ACYP2C19TSHRTUBB4A
SCHEMBL930898 0.74 SMN1; SMN2 (0.46) MEN1KMT2ACYP2C19TSHRTUBB4A
SCHEMBL6664101 0.74 CHRNB2 (0.53) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL7217584 0.74 CHRNB2 (0.53) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL7964257 0.68 SMN1; SMN2 (0.54) MEN1KMT2ACYP2C19TSHRALDH1A1
SCHEMBL15223302 0.67 KMT2A (0.54) MEN1KMT2ACYP2C19TSHRALDH1A1
SCHEMBL9784094 0.67 MAPT (0.51) MEN1KMT2ACYP2C19TSHRTUBB4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973743-B1 PHARMACEUTICAL COMPOSITIONS INCORPORATING ARYL SUBSTITUTED OLEFINIC AMINE COMPOUNDS TARGACEPT INC (US) 2004-08-25 EP disclosed
US-6531606-B1 Nicotinic compound: N-methyl-4-(3-(5-phenylpyridin)yl)-3-buten-1-amine; capable of affecting nicotinic chlorinergic receptors TARGACEPT, INC. 2003-03-11 US disclosed
US-6274606-B1 ADMINISTERING COMPOUNDS SUCH AS (E)-N-METHYL-4-(3-(5-ISO PROPOXYPYRIDIN)YL)-3-BUTEN-1-AMINE TO TREAT PARKINSON'S DISEASE, TOURETTE'S SYNDROME, ATTENTION DEFICIT DISORDER, SCHIZOPHRENIA, AND ALZHEIMER'S DISEASE TARGACEPT, INC. 2001-08-14 US disclosed