SCHEMBL18508715

SCHEMBL18508715

CCCCCCNCc1cn(CCC)c2ccc(Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DNM2 P50570 4/20 0.56
▸ CNR2 P34972 4/20 0.52
▸ CNR1 P21554 3/20 0.50
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ ICMT O60725 5/20 0.42
▸ GSK3B P49841 2/20 0.41

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
SCHEMBL15536099 0.86 CNR2 (0.56) DNM2CNR2CNR1ICMT
SCHEMBL11893459 0.76 CNR2 (0.67) CNR2CNR1ICMT
SCHEMBL15548264 0.74 ICMT (0.74) ICMT
SCHEMBL15536096 0.74 CNR2 (0.53) CNR2CNR1ICMT
SCHEMBL24144136 0.74 CYP19A1 (0.44) CNR2CNR1LMNAICMT
SCHEMBL9236079 0.73 CDC25A (0.70) CNR2CNR1ICMT
SCHEMBL5226403 0.72 LMNA (0.58) LMNACYP1A2CYP2D6CYP2C19
SCHEMBL25474234 0.71 DNM2 (1.00) DNM2CNR2ICMT
SCHEMBL11893549 0.71 CNR2 (0.55) CNR2CNR1ICMT
SCHEMBL13152564 0.70 DYRK1A (0.43) CNR2CNR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 — — EP disclosed
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