SCHEMBL8169758

SCHEMBL8169758

N=NC1(Cc2ccccc2)CC2C(C1)C2N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.33
MAOB P27338 7/20 0.33
KDM1A O60341 4/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AOC3 Q16853 1/20 0.33
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
G6PC1 P35575 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL11627631 0.71 MAOB (0.48) MAOAMAOBKDM1ANPSR1ALDH1A1
SCHEMBL12627343 0.69 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL14087065 0.67 SLC6A2 (0.51) AOC3SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL14741312 0.67 SLC6A2 (0.51) AOC3SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL1814533 0.67 SLC6A2 (0.51) AOC3SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL7867639 0.67 SLC6A2 (0.51) AOC3SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL18484463 0.65 KMT2A (0.41) AOC3SLC6A2SLC6A4ALDH1A1TSHR
SCHEMBL7867642 0.65 KMT2A (0.41) AOC3SLC6A2SLC6A4ALDH1A1TSHR
SCHEMBL14820140 0.65 KMT2A (0.41) AOC3SLC6A2SLC6A4ALDH1A1TSHR
SCHEMBL8168773 0.64 FUCA1 (0.50) ALDH1A1

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-6043393-A Method for preparing cyclopropylamines BAYER AKTIENGESELLSCHAFT (DE) 2000-03-28 US disclosed