SCHEMBL11565795

SCHEMBL11565795

COC(CCCN)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HTR2A P28223 2/20 0.46
HRH1 P35367 1/20 0.46
TAAR1 Q96RJ0 3/20 0.42
MAOA P21397 2/20 0.42
SLC6A2 P23975 2/20 0.42
CYP2A6 P11509 2/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
EPHX1 P07099 1/20 0.41
CYP2D6 P10635 1/20 0.40
ANPEP P15144 1/20 0.40
LAP3 P28838 1/20 0.39
MMP2 P08253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
GRIN2D O15399 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
SCHEMBL12569402 0.89 ALDH1A1 (0.53) ALDH1A1HTR2AHRH1TAAR1MAOA
SCHEMBL11566485 0.84 MAOA (0.55) HTR2AHRH1TAAR1MAOACYP2A6
SCHEMBL7896300 0.84 CTSK (0.49) TAAR1MAOASLC6A2CYP2A6SLC6A4
SCHEMBL28232854 0.82 TAAR1 (0.38) ALDH1A1TAAR1MAOASLC6A2CYP2A6
SCHEMBL11565732 0.81 MAOA (0.56) HTR2ATAAR1MAOACYP2A6SMN1; SMN2
SCHEMBL11568144 0.81 MAOA (0.56) HTR2ATAAR1MAOACYP2A6SMN1; SMN2
SCHEMBL2554330 0.81 TAAR1 (0.48) ALDH1A1TAAR1MAOASLC6A2CYP2A6
SCHEMBL9546973 0.81 TAAR1 (0.48) ALDH1A1TAAR1MAOASLC6A2CYP2A6
SCHEMBL791591 0.80 TAAR1 (0.50) TAAR1MAOASLC6A2CYP2A6SLC6A4
SCHEMBL14402897 0.79 CTSK (0.46) TAAR1MAOASLC6A2CYP2A6SLC6A4

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
EP-0002721-A2 Process for preparing hydrazines BAYER AG (DE) 1979-07-11 EP disclosed