SCHEMBL27985663

SCHEMBL27985663

Cc1cc(C)cc(N2CCNCC2C)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.47
ADRB1 P08588 3/20 0.42
HTR2C P28335 8/20 0.41
HTR2A P28223 6/20 0.41
HTR2B P41595 6/20 0.41
GSK3B P49841 3/20 0.39
LATS1 O95835 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 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
SCHEMBL27985661 1.00 RAD52 (0.47) RAD52ADRB1HTR2CHTR2AHTR2B
SCHEMBL335553 0.83 ADRB1 (0.57) RAD52ADRB1HTR2CHTR2AHTR2B
SCHEMBL23777830 0.83 ADRB1 (0.57) RAD52ADRB1HTR2CHTR2AHTR2B
SCHEMBL23777738 0.83 ADRB1 (0.57) RAD52ADRB1HTR2CHTR2AHTR2B
SCHEMBL30996886 0.83 ADRB1 (0.57) RAD52ADRB1HTR2CHTR2AHTR2B
SCHEMBL17884782 0.82 CHRNB2 (0.54) RAD52GSK3BLATS1ROCK2ROCK1
SCHEMBL30609705 0.82 CHRNB2 (0.54) RAD52GSK3BLATS1ROCK2ROCK1
SCHEMBL4025392 0.82 ADRB1 (0.52) RAD52ADRB1HTR2CHTR2AHTR2B
SCHEMBL22542046 0.82 ADRB1 (0.52) RAD52ADRB1HTR2CHTR2AHTR2B
SCHEMBL22542020 0.82 ADRB1 (0.52) RAD52ADRB1HTR2CHTR2AHTR2B

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
CN-102239152-B Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP. (JP) 2014-10-29 CN disclosed