SCHEMBL7014134

SCHEMBL7014134

O=C(c1ccc(Cl)cc1)c1ccc(CNCCCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 2/20 0.55
MCHR1 Q99705 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
VNN1 O95497 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
FOLH1 Q04609 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SRD5A2 P31213 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL6163688 0.88 CHRM2 (0.71) CHRM2ALDH1A1LMNAMCHR1SMN1; SMN2
SCHEMBL2263025 0.77 CHRM2 (0.64) CHRM2ALDH1A1LMNAMCHR1SMN1; SMN2
Hydrochloric Acid SCHEMBL3668846 0.77 MEN1 (0.65) CHRM2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL19434652 0.77 CHRM2 (0.91) CHRM2ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL11672256 0.77 CHRM2 (0.83) CHRM2ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL24083614 0.77 MAOA (0.55) CHRM2ALDH1A1SMN1; SMN2VNN1MEN1
SCHEMBL4928792 0.76 CYP4A11 (0.66) CHRM2ALDH1A1LMNASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL948529 0.76 CHRM2 (0.62) CHRM2ALDH1A1LMNAMCHR1SMN1; SMN2
SCHEMBL9269956 0.76 MCHR1 (0.47) CHRM2ALDH1A1LMNAMCHR1SMN1; SMN2
SCHEMBL11300822 0.76 CHRM2 (0.62) CHRM2ALDH1A1LMNAMCHR1SMN1; SMN2

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-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed