SCHEMBL8945231

SCHEMBL8945231

CCCCCCC1CCC(c2ccc(Cc3ccc(N)cc3)cc2C)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.37
GRM2 Q14416 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
S1PR3 Q99500 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
SKP2 Q13309 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL8945279 1.00 OPRL1 (0.37) OPRL1GRM2GAAMAPTCYP3A4
SCHEMBL8945369 1.00 OPRL1 (0.37) OPRL1GRM2GAAMAPTCYP3A4
SCHEMBL8945131 0.99 OPRL1 (0.38) OPRL1GRM2GAAMAPTCYP3A4
SCHEMBL8945015 0.95 OPRL1 (0.39) OPRL1GAAMAPTCYP3A4CYP2D6
SCHEMBL8945198 0.90 OPRL1 (0.40) OPRL1MAPTCYP3A4CYP2C9ALDH1A1
SCHEMBL30767883 0.86 OPRL1 (0.42) OPRL1GRM2GAAMAPTCYP3A4
SCHEMBL6362663 0.86 MAPT (0.34) GRM2GAAMAPTCYP3A4CYP2C8
SCHEMBL6752073 0.86 MAPT (0.34) GRM2GAAMAPTCYP3A4CYP2C8
SCHEMBL7733088 0.86 MAPT (0.34) GRM2GAAMAPTCYP3A4CYP2C8
SCHEMBL6367754 0.86 MAPT (0.34) GRM2GAAMAPTCYP3A4CYP2C8

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