SCHEMBL8504531

SCHEMBL8504531

COC(C)Oc1ccnc(-c2nc3cc(C)ccc3n2[S+](C)[O-])c1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.31
▸ CCR5 P51681 2/20 0.31
▸ CCR8 P51685 2/20 0.31
▸ AGPAT2 O15120 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ CTSD P07339 1/20 0.31
▸ ACSS2 Q9NR19 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30

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
SCHEMBL8669816 0.70 AR (0.38) CTSD
SCHEMBL8503831 0.70 MAPT (0.39) CTSD
SCHEMBL637824 0.62 KDM4E (0.47) CTSD
SCHEMBL8586447 0.59 KMT2A (0.39) —
SCHEMBL12354513 0.58 CA12 (0.66) ACSS2
SCHEMBL9014003 0.58 CCR1 (0.80) CCR1CCR5CCR8
SCHEMBL9014019 0.58 CCR1 (0.80) CCR1CCR5CCR8
SCHEMBL14554394 0.58 CCR1 (0.80) CCR1CCR5CCR8
SCHEMBL10333049 0.58 CCR1 (0.51) CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL7181558 0.58 ACSS2 (0.50) AGPAT2ACSS2

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-5998445-A PEPTIC ULCERS EISAI CO., LTD. (JP) 1999-12-07 — — US disclosed
US-5840910-A Pyridine derivatives having anti-ulcerative activity ESAI CO., LTD. (JP) 1998-11-24 — — US disclosed
EP-0654471-B1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and process for preparing the same EISAI CO LTD (JP) 1998-07-08 — — EP disclosed
EP-0475456-B1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same EISAI CO LTD (JP) 1998-02-04 — — EP disclosed
EP-0268956-A2 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1988-06-01 — — EP disclosed
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