SCHEMBL9375754

SCHEMBL9375754

CCCCCCCNCCCCCNc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 2/20 0.47
▸ BCHE P06276 1/20 0.46
▸ TRPC3 Q13507 1/20 0.46
▸ TRPC4 Q9UBN4 1/20 0.46
▸ TRPC5 Q9UL62 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL9370538 0.84 HPGD (0.47) HPGD
SCHEMBL9424730 0.83 TLR8 (0.44) KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL9371159 0.82 KDM4E (0.45) SOAT1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL9370222 0.79 — —
SCHEMBL9370618 0.79 — —
Hydrochloric Acid SCHEMBL9370248 0.78 — —
SCHEMBL14656851 0.78 CYP19A1 (0.48) BCHETRPC3TRPC4TRPC5
SCHEMBL9376463 0.77 — —
Biphenyl SCHEMBL5716029 0.73 SIGMAR1 (0.66) SOAT1ALDH1A1SIGMAR1
Biphenyl SCHEMBL22832517 0.73 SIGMAR1 (0.66) SOAT1ALDH1A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5318984-A Anticholesterol agents which inhibit acetyl coenzyme A transferase THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-06-07 — — US disclosed
EP-0372445-B1 Imidazoles for the treatment of atherosclerosis DU PONT MERCK PHARMA (US) 1994-03-09 — — EP disclosed
US-5166214-A Enzyme inhibitors for anticholesterol agents, enzyme inhibitor and cardiovascular disorders DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-11-24 — — US disclosed
WO-1991018885-A1 IMIDAZOLES FOR THE TREATMENT OF ATHEROSCLEROSIS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-12 — — WO disclosed
EP-0372445-A1 Imidazoles for the treatment of atherosclerosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-06-13 — — EP disclosed
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