SCHEMBL7545834

SCHEMBL7545834

O=C(CCc1ccccc1)NCCc1ccc2c(c1)OCO2

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.69
ALDH1A1 P00352 2/20 0.68
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
SMN1; SMN2 Q16637 2/20 0.62
HPGD P15428 1/20 0.60
MAPT P10636 2/20 0.59
TRPM8 Q7Z2W7 1/20 0.58
FAAH O00519 2/20 0.57
HCAR2 Q8TDS4 1/20 0.56
KDM4E B2RXH2 1/20 0.56
KLF5 Q13887 1/20 0.55

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
SCHEMBL28999858 1.00 LMNA (0.69) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28999833 0.94 FAAH (0.64) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL108267 0.93 LMNA (0.62) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28999855 0.93 NPC1 (0.62) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL179083 0.89 LMNA (0.64) LMNAALDH1A1NPC1RAB9AHPGD
SCHEMBL28999835 0.89 FAAH (0.60) LMNAALDH1A1NPC1RAB9AFAAH
SCHEMBL28999840 0.89 ALDH1A1 (0.69) LMNAALDH1A1SMN1; SMN2FAAH
SCHEMBL28742237 0.87 LMNA (0.62) LMNAALDH1A1NPC1RAB9AHPGD
SCHEMBL28999846 0.85 NPC1 (0.58) LMNAALDH1A1NPC1RAB9AHPGD
SCHEMBL28999856 0.85 KMT2A (0.57) LMNAALDH1A1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200410-A1 ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE SUBSTANCE Egis Gyogyszergyar Rt. (HU) 2002-05-02 EP disclosed
WO-2001009101-A1 ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE SUBSTANCE EGIS Gyógyszergyár Rt. (HU) 2001-02-08 WO disclosed