SCHEMBL11160283

SCHEMBL11160283

CC(C)C(c1ccccc1N(Cc1ccccc1)Cc1ccccc1)c1ccccc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 10/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CYP2C19 P33261 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PGR P06401 1/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ AR P10275 1/20 0.40
▸ AOC3 Q16853 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL1533790 0.80 TSHR (0.48) NR3C1TSHRCYP2C19ALDH1A1ADRA2B
SCHEMBL5406966 0.79 NR3C1 (0.42) NR3C1TSHRCYP2C19ALDH1A1ADRA2B
SCHEMBL9749583 0.77 TSHR (0.50) NR3C1TSHRCYP2C19ALDH1A1PGR
SCHEMBL9750090 0.77 TSHR (0.39) NR3C1TSHRCYP2C19ALDH1A1PGR
SCHEMBL7148219 0.76 TSHR (0.54) NR3C1TSHRCYP2C19ALDH1A1PGR
SCHEMBL7405137 0.76 NR3C1 (0.39) NR3C1PGRNR3C2ARMEN1
SCHEMBL11348653 0.72 TSHR (0.41) NR3C1TSHRCYP2C19ADRA2BADRA2C
SCHEMBL10778608 0.72 CYP2C19 (0.51) NR3C1TSHRCYP2C19ADRA2BADRA2C
SCHEMBL10781546 0.71 CYP2C19 (0.59) NR3C1TSHRCYP2C19ALDH1A1ADRA2B
SCHEMBL12774297 0.71 NR3C1 (0.41) NR3C1TSHRCYP2C19PGRNR3C2

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-4387149-A CATIONIC DYES; STABILITY; COPYING MITSUBISHI PAPER MILLS, LTD. (JP) 1983-06-07 — — US disclosed
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