SCHEMBL7368209

SCHEMBL7368209

O=C(NCC1CN(Cc2ccccc2)CCO1)c1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.60
SLC6A13 Q9NSD5 1/20 0.60
HPGD P15428 2/20 0.60
HSD17B10 Q99714 2/20 0.60
EPHX2 P34913 1/20 0.57
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
ACHE P22303 2/20 0.53
CHRM3 P20309 7/20 0.52
MCHR1 Q99705 1/20 0.52
ALDH1A1 P00352 1/20 0.51
DRD4 P21917 1/20 0.50
CHRM1 P11229 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
PRMT5 O14744 1/20 0.50

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
SCHEMBL8364463 0.85 BCHE (0.67) SLC6A12SLC6A13EPHX2RAB9ANPC1
SCHEMBL5364553 0.83 DRD4 (0.65) HPGDEPHX2ALDH1A1DRD4
SCHEMBL13538758 0.83 DRD4 (0.57) HPGDEPHX2ALDH1A1DRD4
SCHEMBL3028796 0.82 BCHE (0.58) SLC6A12SLC6A13EPHX2RAB9ANPC1
SCHEMBL7374112 0.82 EPHX2 (0.50) SLC6A12SLC6A13EPHX2ALDH1A1DRD4
SCHEMBL3026490 0.81 HDAC4 (0.60) EPHX2ALDH1A1DRD4
SCHEMBL2424663 0.80 RAB9A (0.65) HPGDEPHX2RAB9ACHRM3MCHR1
SCHEMBL2769124 0.80 DRD4 (0.61) EPHX2ALDH1A1DRD4
SCHEMBL2770194 0.80 DRD4 (0.61) EPHX2ALDH1A1DRD4
SCHEMBL5429645 0.80 DRD4 (0.61) EPHX2ALDH1A1DRD4

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-0243959-B1 SUBSTITUTED BENZAMIDE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-08-19 EP disclosed
US-4870074-A Substituted benzamide derivatives, for enhancing gastrointestinal motility DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US disclosed
EP-0243959-A1 Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-04 EP disclosed