SCHEMBL17748940

SCHEMBL17748940

CC(C1=C[CH]CC=C1)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40

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
SCHEMBL485759 0.69
SCHEMBL8380589 0.62
SCHEMBL20883793 0.62 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3
SCHEMBL4812150 0.62 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL8380363 0.61
SCHEMBL22542178 0.61 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
Bromide SCHEMBL11850319 0.61 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL5785076 0.60
SCHEMBL28327819 0.60 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL27652524 0.60 SLC6A3 (0.58) SLC6A2SLC6A4SLC6A3

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
EP-3218374-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN Genentech, Inc. (US) 2017-09-20 EP claimed
WO-2016077380-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 WO claimed