SCHEMBL9541943

SCHEMBL9541943

NCC1CC1(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
MAOA P21397 1/20 0.48
HTR2C P28335 9/20 0.44
HTR2A P28223 8/20 0.44
HTR2B P41595 7/20 0.44
SLC6A3 Q01959 3/20 0.43
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.37
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36

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
SCHEMBL9541908 0.79 MAOB (0.58) MAOBMAOAHTR2CHTR2AHTR2B
SCHEMBL11593479 0.76 MAOB (0.44) MAOBMAOASLC6A3SLC6A2SLC6A4
SCHEMBL11591757 0.76 HTR2A (0.46) MAOBMAOAHTR2CHTR2AHTR2B
SCHEMBL11592202 0.71 HTR2C (0.56) MAOBMAOAHTR2CHTR2AHTR2B
SCHEMBL11591613 0.71 CHRM2 (0.47) MAOBMAOASLC6A3SLC6A2SLC6A4
SCHEMBL11593943 0.70 SLC6A4 (0.39) MAOBMAOASLC6A3SLC6A2SLC6A4
SCHEMBL11593952 0.70 MAOB (0.41) MAOBMAOAHTR2CHTR2AHTR2B
SCHEMBL9540473 0.68 HTR2C (0.50) MAOBHTR2CHTR2AHTR2BSLC6A3
SCHEMBL9543103 0.67 SLC6A2 (0.49) MAOBHTR2CHTR2AHTR2BSLC6A3
SCHEMBL31417180 0.65 SLC6A3 (0.58) MAOBMAOASLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993015100-A1 NOVEL ADENOSINE DERIVATIVES, THEIR PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRES UPSA (FR) 1993-08-05 WO disclosed
US-5219839-A Analgesics; anticonvulsant and -epileptic agents; antidepressants; anxiolytic, antiarrhythmic and hypotensive agents; anticoagulants LABORATORIES UPSA (FR) 1993-06-15 US disclosed