SCHEMBL10685204

SCHEMBL10685204

C=CCN1CC[CH]CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
ADRA1A P35348 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1B P35368 1/20 0.33
OPRD1 P41143 1/20 0.33
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
OPRK1 P41145 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL175227 0.91
SCHEMBL618794 0.83
SCHEMBL4957978 0.78
SCHEMBL88222 0.78
SCHEMBL1489209 0.78
SCHEMBL617496 0.77
SCHEMBL1079263 0.76 OPRD1 (0.38) ADRA2AADRA2BADRA2CSIGMAR1ADRA1A
SCHEMBL1081392 0.76 HRH3 (0.39) ADRA2AADRA2BADRA2CSIGMAR1ADRA1A
SCHEMBL486492 0.76
SCHEMBL87801 0.76

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4780478-A Aminopropoxy-chromones useful as antidepressants MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 1988-10-25 US disclosed
US-4508732-A Basic ethers useful as antidepressant agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-04-02 US disclosed
US-4376123-A Hexahydroazepinyloxy-chromones useful as antidepressants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-03-08 US disclosed