SCHEMBL17145458

SCHEMBL17145458

COC(=O)C(c1ccc(Br)cc1)C1CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.55
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50

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
SCHEMBL13701464 0.94 SLC6A3 (0.63) SLC6A3SLC6A2SLC6A4
SCHEMBL11274171 0.83 SLC6A3 (0.62) SLC6A3SLC6A2SLC6A4
SCHEMBL9644018 0.83 SLC6A3 (0.62) SLC6A3SLC6A2SLC6A4
SCHEMBL28628509 0.83 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL24662249 0.81 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4
SCHEMBL30375011 0.81 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4
SCHEMBL11277396 0.80 DHODH (0.55) SLC6A3SLC6A2SLC6A4
SCHEMBL11163723 0.79 POLB (0.41)
SCHEMBL9154015 0.79 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4
SCHEMBL4247382 0.79 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4

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-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed