SCHEMBL29653091

SCHEMBL29653091

Cc1cccc(CCCN(C)C)c1Br

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.46
SLC6A4 P31645 4/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HTR7 P34969 1/20 0.39
HTR6 P50406 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
RAD52 P43351 1/20 0.38
HRH1 P35367 1/20 0.37

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
SCHEMBL24456663 1.00 TAAR1 (0.46) TAAR1SLC6A4HTR2AHTR2CHTR2B
SCHEMBL27592582 0.79 GABRA1 (0.45) TAAR1
SCHEMBL8407898 0.79 HTR2A (0.51) SLC6A4HTR2AHTR2CHTR2BHTR7
SCHEMBL30817990 0.78 GABRA1 (0.39) TAAR1
SCHEMBL17979977 0.78 GABRA1 (0.39) TAAR1
SCHEMBL6355831 0.76 GABRA1 (0.38) TAAR1
SCHEMBL11135816 0.76 TAAR1 (0.78) TAAR1SLC6A4HTR7SIGMAR1
SCHEMBL534488 0.75 GABRA1 (0.36) TAAR1
SCHEMBL27583 0.75 GABRA1 (0.43) TAAR1HTR2A
SCHEMBL16954492 0.75 GABRA1 (0.48) TAAR1

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
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 WO disclosed