SCHEMBL7903994

SCHEMBL7903994

CCCN(CCC)CCCOc1ccccc1-c1nnc(-n2nc(SC)nc2N)s1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 15/20 0.40
ATP4B P51164 15/20 0.40
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL7904668 0.94 ALDH1A1 (0.37) ATP4AATP4B
SCHEMBL7896441 0.90 HTR1B (0.37) HRH3
SCHEMBL7902622 0.88 KDM4E (0.36) HRH3
SCHEMBL7903964 0.83 HTR1B (0.34) HRH3
SCHEMBL7896514 0.82 HRH3 (0.42) HRH3
SCHEMBL7903985 0.81 KDM4E (0.34) HRH3
SCHEMBL7904663 0.81 MEN1 (0.35) HRH3
SCHEMBL7908493 0.80 HTR1B (0.33) HRH3
SCHEMBL7896411 0.80 USP2 (0.43) HRH3
SCHEMBL7908461 0.79 HRH1 (0.37) HRH3

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-6191152-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYAR RT. (HU) 2001-02-20 US disclosed