SCHEMBL19490704

SCHEMBL19490704

C[C@H](Cc1ccccc1)[C@H]1CCCC[C@H]1N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.44
SIGMAR1 Q99720 3/20 0.44
SLC6A2 P23975 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
CYP2D6 P10635 1/20 0.42
SLC18A3 Q16572 3/20 0.40
EPHX1 P07099 1/20 0.38
SLC18A2 Q05940 1/20 0.38

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
SCHEMBL8806240 0.75 SIGMAR1 (0.46) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL17319517 0.73 CYP3A4 (0.43) TAAR1EPHX1
SCHEMBL19491082 0.72 CYP3A4 (0.45) SIGMAR1MAOA
SCHEMBL15765796 0.70 THRB (0.39) EPHX1
SCHEMBL19491070 0.70 THRB (0.39)
SCHEMBL24742714 0.70 THRB (0.39)
SCHEMBL9154707 0.70 THRB (0.39)
SCHEMBL2451853 0.70 THRB (0.39)
SCHEMBL27969246 0.70 SLC18A2 (0.42) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL16191288 0.69 PTGS1 (0.44)

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-9796660-B2 Gamma amino acid building blocks WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-10-24 US disclosed