SCHEMBL16418000

SCHEMBL16418000

CNCCc1ccnc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.55
▸ HTR1A P08908 3/20 0.51
▸ ADRA1D P25100 2/20 0.51
▸ ADRA1A P35348 2/20 0.51
▸ ADRA1B P35368 2/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ TAAR1 Q96RJ0 5/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ FERMT2 Q96AC1 1/20 0.46
▸ NCF1 P14598 1/20 0.44
▸ ATM Q13315 1/20 0.42
▸ CASP1 P29466 1/20 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
SCHEMBL23229998 0.83 LOXL2 (0.51) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL1253989 0.81 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL24197399 0.81 LOXL2 (0.50) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL528996 0.79 LOXL2 (0.60) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL23330383 0.79 CYP1A2 (0.55) LOXL2HTR1AADRA1DADRA1AADRA1B
Bromide SCHEMBL7457488 0.78 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
Iodide SCHEMBL1343657 0.78 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL2331919 0.77 LOXL2 (0.62) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL2333461 0.77 LOXL2 (0.62) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL23023094 0.77 GAA (0.51) LOXL2HTR1AADRA1DADRA1AADRA1B

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-8940938-B2 Michael reaction with recovery of the catalyst NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-27 — — US disclosed
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