SCHEMBL8441758

SCHEMBL8441758

CCN(CCOc1ccnc(-c2nc3ccccc3n2SC)c1C)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 9/20 0.37
▸ DRD2 P14416 8/20 0.37
▸ DRD1 P21728 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PDE6D O43924 1/20 0.32

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
SCHEMBL8440547 0.83 NPSR1 (0.38) MEN1KMT2AATMHTT
SCHEMBL8380821 0.83 PTAFR (0.33) DRD3DRD2MEN1KMT2APOLB
SCHEMBL8443545 0.82 GALR3 (0.38) MEN1KMT2APOLB
SCHEMBL8439251 0.82 KDM4E (0.39) DRD2MEN1KMT2APOLBCYP1A2
SCHEMBL8550349 0.80 KDM4E (0.42) MEN1KMT2APOLBHTT
SCHEMBL8672723 0.80 MEN1 (0.38) PKMMEN1KMT2APOLBHTT
SCHEMBL8443200 0.79 KMT2A (0.42) DRD3PKMMEN1KMT2APOLB
SCHEMBL8669339 0.79 MEN1 (0.39) PKMMEN1KMT2APOLBHTT
SCHEMBL8441755 0.79 MEN1 (0.39) DRD3DRD2DRD1PKMMEN1
Hydrochloric Acid SCHEMBL8860684 0.78 MEN1 (0.38) DRD3DRD2PKMMEN1KMT2A

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
US-5916904-A ANTIULCER EISAI CO., LTD. (JP) 1999-06-29 — — US disclosed
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