SCHEMBL8945379

SCHEMBL8945379

CCCCCCCC1(Cc2ccc(N)cc2)CCC(c2ccccc2C)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.37
CYP19A1 P11511 10/20 0.36
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32

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
SCHEMBL8945242 1.00 HTR2C (0.37) HTR2CCYP19A1MMP2MMP9MMP8
SCHEMBL8945288 1.00 HTR2C (0.37) HTR2CCYP19A1MMP2MMP9MMP8
SCHEMBL8945139 0.99 HTR2C (0.38) HTR2CCYP19A1MMP2MMP9MMP8
SCHEMBL8945021 0.95 HTR2C (0.38) HTR2CCYP19A1OPRM1OPRD1OPRK1
SCHEMBL8945208 0.90 HTR2C (0.40) HTR2CCYP19A1MMP2MMP13OPRL1
SCHEMBL8945363 0.88 CYP19A1 (0.33) HTR2CCYP19A1MMP2MMP9MMP8
SCHEMBL8945274 0.88 CYP19A1 (0.33) HTR2CCYP19A1MMP2MMP9MMP8
SCHEMBL8945226 0.88 CYP19A1 (0.33) HTR2CCYP19A1MMP2MMP9MMP8
SCHEMBL8945127 0.87 CYP19A1 (0.32) HTR2CCYP19A1HTR6
SCHEMBL8945420 0.87 HTR2C (0.41) HTR2CMMP2MMP13OPRL1HTR2A

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-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed