SCHEMBL7793944

SCHEMBL7793944

C=CCCN1CCCCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
HRH3 Q9Y5N1 1/20 0.41
KMT2A Q03164 4/20 0.41
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.39
PKM P14618 1/20 0.39
PIK3CD O00329 1/20 0.39
ACHE P22303 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.38
BLM P54132 1/20 0.36

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
SCHEMBL29529668 0.98 L3MBTL1 (0.42) L3MBTL1HRH3KMT2ACYP1A2CHRM2
SCHEMBL2451758 0.92 PIK3CD (0.46) KMT2ACYP1A2CHRM2CHRM4CHRM5
SCHEMBL4873730 0.89 L3MBTL1 (0.42) L3MBTL1HRH3KMT2ACYP1A2CHRM2
SCHEMBL8076187 0.84 L3MBTL1 (0.38) L3MBTL1HRH3KMT2ACYP1A2CHRM2
SCHEMBL2555170 0.83 L3MBTL1 (0.46) L3MBTL1HRH3KMT2ACYP1A2CHRM2
SCHEMBL2559744 0.81 L3MBTL1 (0.43) L3MBTL1HRH3KMT2ACYP1A2CHRM2
SCHEMBL284047 0.81 L3MBTL1 (0.47) L3MBTL1HRH3KMT2ACYP1A2CHRM2
SCHEMBL11323543 0.80 ADRA1B (0.43) KMT2ACYP1A2CHRM2CHRM4CHRM5
SCHEMBL1935110 0.79 L3MBTL1 (0.49) L3MBTL1HRH3KMT2ACYP1A2CHRM2
SCHEMBL2574923 0.79 L3MBTL1 (0.44) L3MBTL1HRH3KMT2ACYP1A2CHRM2

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-0555483-B1 PROCESS FOR PRODUCING AZACYCLOALKANE DERIVATIVE HISAMITSU PHARMACEUTICAL CO (JP) 2001-02-28 EP disclosed
US-5371238-A Reacting 1-/n-alkenyl/-azacycloalkan-2-one with alkyl mercaptan using free radical initiator, reducing, distilling to purify HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1994-12-06 US disclosed
EP-0555483-A1 PROCESS FOR PRODUCING AZACYCLOALKANE DERIVATIVE Hisamitsu Pharmaceutical Co., Inc. (JP) 1993-08-18 EP disclosed