SCHEMBL11108406

SCHEMBL11108406

O=C1C2C3C=C[C@@H](C3)[C@@H]2C(=O)N1CC(O)CN1CCN(c2ncccn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48
DRD4 P21917 1/20 0.48

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
SCHEMBL11103349 1.00 HTR1A (0.48) HTR1ADRD2DRD4
SCHEMBL11105438 0.97 HTR1A (0.48) HTR1ADRD2DRD4
Maleic Acid SCHEMBL11112010 0.90 HTR1A (0.43) HTR1ADRD2DRD4
SCHEMBL10817359 0.87 ALDH1A1 (0.62)
SCHEMBL11105790 0.87 ALDH1A1 (0.62)
SCHEMBL11109339 0.84 ALDH1A1 (0.59)
SCHEMBL11112996 0.84 ALDH1A1 (0.59)
SCHEMBL11107130 0.82 ALDH1A1 (0.56) HTR1ADRD2
SCHEMBL11102748 0.82 DRD2 (0.43) HTR1ADRD2DRD4
SCHEMBL11106525 0.81 HTR1A (0.53) HTR1ADRD2DRD4

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-4479954-A ANTIDIABETIC AGENTS EISAI CO., LTD. (JP) 1984-10-30 US disclosed