SCHEMBL9225866

SCHEMBL9225866

c1ccc2c(c1)Cc1c(CCNC3CCCCCC3)cccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
TAAR1 Q96RJ0 1/20 0.45
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIN2B Q13224 1/20 0.41
LMNA P02545 3/20 0.40
CXCR4 P61073 3/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
PARP1 P09874 1/20 0.38
OPRL1 P41146 1/20 0.38
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9221121 0.86 PNMT (0.53) PNMTALDH1A1MEN1KMT2AGRIN2B
SCHEMBL5366733 0.77 PNMT (0.72) PNMTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9220152 0.76 EPHX2 (0.52) PNMTALDH1A1MEN1KMT2ALMNA
SCHEMBL7609046 0.76 PNMT (0.70) PNMTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6558685 0.76 PNMT (0.70) PNMTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9859906 0.76 PNMT (0.70) PNMTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7603814 0.76 PNMT (0.70) PNMTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27488134 0.75 PNMT (0.53) PNMTALDH1A1KMT2ASMN1; SMN2DRD2
SCHEMBL6674911 0.74 PNMT (0.68) PNMTALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5348072 0.74 PNMT (0.68) PNMTALDH1A1MEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420348-A Enzyme inhibitors YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0447116-B1 Urea derivatives, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMA CO LTD (JP) 1994-12-14 EP disclosed
US-5258405-A Acetyl coenzyme A cholesterol acetyltransferase inhibitors for cardiovascular disorders and atherosclerosis and antilipemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-11-02 US disclosed
EP-0447116-A1 Urea derivatives, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-09-18 EP disclosed