SCHEMBL7575437

SCHEMBL7575437

CCCCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1N(C)c1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.36
AGTR2 P50052 1/20 0.36
SOAT1 P35610 2/20 0.35
AGT P01019 2/20 0.35
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL8854720 0.81 KMT2A (0.40) GAAHPGDKDM4EALDH1A1TSHR
SCHEMBL7572573 0.81 SOAT1 (0.36) AGTR1SOAT1GAAHPGDKDM4E
SCHEMBL7565426 0.76 AGTR1 (0.41) AGTR1AGTR2SOAT1AGTTSHR
SCHEMBL4735569 0.75 SOAT1 (0.47) AGTR1AGTR2SOAT1GAAHPGD
SCHEMBL7575457 0.73 SOAT1 (0.40) AGTR1AGTR2SOAT1GAAHPGD
SCHEMBL3948155 0.73 LTB4R2 (0.57) AGTR1AGTR2AGTGAAHPGD
SCHEMBL9709733 0.71 AGTR1 (0.39) AGTR1AGTR2AGT
SCHEMBL7567763 0.69 POLB (0.49) GAAHPGDKDM4EALDH1A1TSHR
SCHEMBL9022990 0.67 AGTR1 (0.48) AGTR1AGTR2AGT
SCHEMBL9592378 0.67 AGT (0.46) AGTR1AGTR2AGT

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-0685470-B1 Benzene derivatives and pharmaceutical composition KUREHA CHEMICAL IND CO LTD (JP) 2002-09-11 EP disclosed
EP-0685470-A2 Benzene derivatives and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1995-12-06 EP disclosed