SCHEMBL19664330

SCHEMBL19664330

COCCN1CCN(C(=O)CNCc2cc([C]=O)ccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 8/20 0.42
▸ DRD3 P35462 5/20 0.41
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.39
▸ MTOR P42345 2/20 0.38
▸ SYK P43405 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ DRD2 P14416 2/20 0.36

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
SCHEMBL15636702 0.85 KDM5B (0.46) KDM1ADRD3PDE3BPDE3ADRD2
SCHEMBL19676424 0.82 KDM5B (0.43) KDM1ADRD3PDE3BPDE3A
SCHEMBL15994417 0.70 KDM4E (0.43) KDM1A
SCHEMBL17364569 0.68 KDM4E (0.42) KDM1A
SCHEMBL16293797 0.67 KDM4E (0.64) KDM1APOLB
SCHEMBL15636442 0.66 KDM5B (0.52) —
SCHEMBL15636980 0.65 KDM5B (0.59) —
SCHEMBL15995309 0.64 KDM4E (0.40) KDM1A
SCHEMBL16303320 0.64 KDM4E (0.40) KDM1A
SCHEMBL12395531 0.63 DRD3 (0.61) DRD3PDE3BPDE3AHRH2HRH1

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-3023415-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2017-12-06 — — EP disclosed
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