SCHEMBL8945015

SCHEMBL8945015

CCCCC1CCC(c2ccc(Cc3ccc(N)cc3)cc2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.39
SKP2 Q13309 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
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
SCHEMBL8945131 0.96 OPRL1 (0.38) OPRL1SKP2TSHRALDH1A1CYP3A4
SCHEMBL8945279 0.95 OPRL1 (0.37) OPRL1SKP2TSHRALDH1A1CYP3A4
SCHEMBL8945231 0.95 OPRL1 (0.37) OPRL1SKP2TSHRALDH1A1CYP3A4
SCHEMBL8945369 0.95 OPRL1 (0.37) OPRL1SKP2TSHRALDH1A1CYP3A4
SCHEMBL8945198 0.92 OPRL1 (0.40) OPRL1TSHRALDH1A1CYP3A4TDP1
SCHEMBL8945411 0.87 ALDH1A1 (0.39) OPRL1TSHRALDH1A1CYP3A4TDP1
SCHEMBL30767883 0.83 OPRL1 (0.42) OPRL1TSHRALDH1A1CYP3A4KMT2A
SCHEMBL6367773 0.82 CYP3A4 (0.33) TSHRALDH1A1CYP3A4TDP1KMT2A
SCHEMBL7752381 0.81 SPHK1 (0.48) TSHRALDH1A1CYP3A4TDP1KMT2A
SCHEMBL8945212 0.81 ALDH1A1 (0.41) OPRL1TSHRALDH1A1CYP3A4TDP1

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