SCHEMBL29538076

SCHEMBL29538076

Brc1ccc(C[C@H]2CCCN2)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
HTR6 P50406 6/20 0.43
LTA4H P09960 2/20 0.42

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
SCHEMBL1990262 1.00 POLB (0.61) POLBHTR6LTA4H
SCHEMBL1990261 1.00 POLB (0.61) POLBHTR6LTA4H
SCHEMBL6697932 0.95 POLB (0.69) POLBHTR6LTA4H
SCHEMBL27639459 0.82
SCHEMBL18577442 0.81 POLB (0.61) POLBHTR6LTA4H
SCHEMBL1443794 0.81 POLB (0.61) POLBHTR6LTA4H
SCHEMBL10132295 0.81 POLB (0.61) POLBHTR6LTA4H
SCHEMBL19654759 0.81 POLB (0.61) POLBHTR6LTA4H
SCHEMBL1673353 0.81 POLB (0.61) POLBHTR6LTA4H
SCHEMBL10132251 0.81 POLB (0.61) POLBHTR6LTA4H

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
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed