SCHEMBL7368932

SCHEMBL7368932

[CH2]CCCCCNCC(O)COc1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.51
KMT2A Q03164 7/20 0.50
MEN1 O00255 5/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADRB3 P13945 4/20 0.48
ADRB1 P08588 3/20 0.48
ADRB2 P07550 2/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL7367965 0.88 ADRB3 (0.60) KMT2AMEN1ADRB3ADRB1ADRB2
SCHEMBL7369310 0.86 KDM4E (0.62) CASRKMT2AMAPK1ADRB3ADRB1
SCHEMBL7364771 0.85 MEN1 (0.62) KMT2AMEN1MAPTSMN1; SMN2ADRB3
SCHEMBL7367538 0.85 MEN1 (0.62) KMT2AMEN1MAPTSMN1; SMN2ADRB3
SCHEMBL7367855 0.84 MEN1 (0.63) KMT2AMEN1MAPTSMN1; SMN2ADRB3
SCHEMBL6690111 0.80 MEN1 (0.65) KMT2AMEN1MAPTSMN1; SMN2ADRB3
SCHEMBL11616553 0.78 CASR (0.49) CASRKMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL18506356 0.76 KDM4E (0.56) KMT2AMEN1TAAR1MAPK1ADRB3
SCHEMBL8778541 0.75 HRH3 (0.57) KMT2AMEN1MAPK1SMN1; SMN2DRD2
SCHEMBL28540629 0.75 HRH3 (0.57) KMT2AMEN1MAPK1SMN1; SMN2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994002463-A1 ANTIHYPERTENSIVE 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-03 WO disclosed