SCHEMBL633108

SCHEMBL633108

CSc1cc(C2(O)CCCCC2)ccc1N1CC(N)C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 1/20 0.31
▸ ACSS2 Q9NR19 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
SCHEMBL2482302 0.65 FFAR4 (0.35) PIM2
SCHEMBL6241838 0.64 NOTUM (0.31) —
SCHEMBL5734923 0.62 SLC6A4 (0.37) —
SCHEMBL893223 0.61 OPRM1 (0.53) —
SCHEMBL31748627 0.59 CA1 (0.44) —
SCHEMBL11962271 0.59 OPRM1 (0.55) —
SCHEMBL18802838 0.59 ESR1 (0.38) ACSS2
SCHEMBL18802831 0.58 HRH3 (0.41) —
SCHEMBL10639780 0.58 ALDH1A1 (0.61) —
SCHEMBL23017577 0.58 OPRM1 (0.49) —

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-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 — — EP disclosed
EP-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 — — EP disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 — — WO disclosed
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