SCHEMBL10661908

SCHEMBL10661908

CCCCN(CCCC)CCCOc1ccc(-c2nc(-c3ccccc3)sc2CC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 17/20 1.00
ATP4B P51164 17/20 1.00
AGER Q15109 3/20 0.61

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
SCHEMBL10659756 0.88 ATP4A (1.00) ATP4AATP4B
SCHEMBL10662994 0.85 ATP4A (0.73) ATP4AATP4BAGER
SCHEMBL10661906 0.81 ATP4A (0.67) ATP4AATP4BAGER
SCHEMBL10571336 0.78 ATP4A (1.00) ATP4AATP4B
SCHEMBL727669 0.78 ATP4A (0.63) ATP4AATP4B
SCHEMBL11466220 0.78 ALDH1A1 (0.67) ATP4AATP4B
SCHEMBL10656403 0.77 ATP4A (1.00) ATP4AATP4B
SCHEMBL729142 0.76 ATP4A (0.61) ATP4AATP4BAGER
SCHEMBL11994177 0.75 ATP4A (0.58) ATP4AATP4BAGER
SCHEMBL10659443 0.74 ATP4A (1.00) ATP4AATP4B

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-4791200-A ANTISECRETORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-12-13 US claimed
US-4791200-A ANTISECRETORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-12-13 US disclosed