SCHEMBL10760751

SCHEMBL10760751

O=C=C1CCCCN1c1cc(-c2ccccn2)nc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 15/20 0.62
CYP2C9 P11712 2/20 0.51
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL10761471 0.86 KDM4E (0.59) METAP1CYP2C9KDM4EL3MBTL1
SCHEMBL10757606 0.82 KDM4E (0.56) METAP1CYP2C9KDM4EL3MBTL1
SCHEMBL10761697 0.81 ACP1 (0.43) METAP1KDM4EL3MBTL1
SCHEMBL31310819 0.78 METAP1 (0.97) METAP1CYP2C9KDM4EL3MBTL1
SCHEMBL2551229 0.78 METAP1 (0.97) METAP1CYP2C9KDM4EL3MBTL1
SCHEMBL2547815 0.77 METAP1 (1.00) METAP1CYP2C9KDM4EL3MBTL1
SCHEMBL31310818 0.77 METAP1 (1.00) METAP1CYP2C9KDM4EL3MBTL1
SCHEMBL2545683 0.70 METAP1 (1.00) METAP1
SCHEMBL10757052 0.68 KDM4E (0.50) KDM4EL3MBTL1
SCHEMBL10760748 0.68 CYP2C9 (1.00) METAP1CYP2C9PKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4711890-A TREATMENT OF ANXIETY STATES OR OF PULMONARY, RENAL, CIRCULATORY OF CARDIOVASCULAR DISORDERS RHONE-POULENC SANTE (FR) 1987-12-08 US disclosed
US-4684652-A TREATING ANXIETY OR CARDIOVASCULAR DISORDERS RHONE-POULENC SANTE (FR) 1987-08-04 US disclosed