SCHEMBL6947801

SCHEMBL6947801

NCCN1CCN(C(=O)OCc2ccccc2)CC1.NCCN1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CA7 P43166 3/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ TNKS O95271 1/20 0.50
▸ PARP1 P09874 1/20 0.50
▸ TNKS2 Q9H2K2 1/20 0.50
▸ PARP2 Q9UGN5 1/20 0.50
▸ SLC29A1 Q99808 1/20 0.49
▸ ENPP2 Q13822 1/20 0.48
▸ SIGMAR1 Q99720 6/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ HTR1A P08908 1/20 0.46

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
SCHEMBL29132334 0.92 MEN1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL335166 0.92 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL3976200 0.91 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL4588381 0.86 MEN1 (0.64) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL3970461 0.86 MEN1 (0.64) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL5747411 0.85 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL29132085 0.85 SIGMAR1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL31329561 0.84 MEN1 (0.62) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL17272 0.84 MEN1 (0.66) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL3889285 0.84 MEN1 (0.66) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19

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-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 — — EP disclosed
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