SCHEMBL9525341

SCHEMBL9525341

Cc1cc(N2CCCCC2)nn1CCCCC[S+]([O-])c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 6/20 0.47
ACAT1 P24752 1/20 0.47
NPY5R Q15761 10/20 0.39

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
SCHEMBL3378259 0.86 SOAT1 (0.63) SOAT1ACAT1
SCHEMBL29972770 0.86 SOAT1 (0.63) SOAT1ACAT1
SCHEMBL9565792 0.86 SOAT1 (0.63) SOAT1ACAT1
SCHEMBL9597124 0.81 SOAT1 (0.48) SOAT1ACAT1
SCHEMBL9524785 0.80 SOAT1 (0.74) SOAT1ACAT1
SCHEMBL9525449 0.79 SOAT1 (0.48) SOAT1ACAT1NPY5R
SCHEMBL7640471 0.72 KDM4E (0.36) SOAT1ACAT1
SCHEMBL7640468 0.72 KDM4E (0.36) SOAT1ACAT1
SCHEMBL9214975 0.70 SOAT1 (0.33) SOAT1ACAT1
SCHEMBL9214981 0.68 SOAT1 (0.33) SOAT1ACAT1

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
WO-1993001184-A1 IMIDAZOLES INHIBITORS AS ACAT AND THROMBOXANE TXA2 RHONE-POULENC RORER LIMITED (GB) 1993-01-21 WO claimed
EP-0522887-A1 Imidazoles as ACAT- and thromboxane TxA2 inhibitors RHONE-POULENC RORER LIMITED (GB) 1993-01-13 EP claimed
WO-1993001184-A1 IMIDAZOLES INHIBITORS AS ACAT AND THROMBOXANE TXA2 RHONE-POULENC RORER LIMITED (GB) 1993-01-21 WO disclosed
EP-0522887-A1 Imidazoles as ACAT- and thromboxane TxA2 inhibitors RHONE-POULENC RORER LIMITED (GB) 1993-01-13 EP disclosed