SCHEMBL11056103

SCHEMBL11056103

O=C1CCC2(C(=O)N1)c1ccccc1-c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.42
CRBN Q96SW2 8/20 0.40
DDB1 Q16531 3/20 0.38

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
SCHEMBL9673557 0.81 AKR1B1 (0.45) ITGA4
Alonimid SCHEMBL114140 0.74 CRBN (0.38) ITGA4CRBNDDB1
Alonimid SCHEMBL29728701 0.74 CRBN (0.38) ITGA4CRBNDDB1
SCHEMBL11057716 0.73 GRIN1 (0.47) ITGA4
SCHEMBL5107203 0.73 GSK3B (0.43) ITGA4
SCHEMBL11844513 0.73 CRBN (0.40) ITGA4CRBNDDB1
SCHEMBL9671705 0.69 AKR1B1 (0.61)
SCHEMBL10789485 0.69 KMT2A (0.38) ITGA4
SCHEMBL7040158 0.68 KDM1A (0.46)
SCHEMBL28498656 0.68 GRIN1 (0.45) ITGA4

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-4486592-A ANTIARRHYTHMIA AGENTS ELI LILLY AND COMPANY (US) 1984-12-04 US disclosed