SCHEMBL9750090

SCHEMBL9750090

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ ATM Q13315 1/20 0.38
▸ NR3C1 P04150 6/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CNR2 P34972 4/20 0.35
▸ PGR P06401 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ AR P10275 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL9750099 0.79 CYP2C19 (0.47) TSHRNR1H2NR1H3CYP2C19CNR2
SCHEMBL9749583 0.79 TSHR (0.50) TSHRNR3C1NR1H2NR1H3CYP2C19
SCHEMBL1533790 0.78 TSHR (0.48) TSHRATMNR3C1CYP2C19CNR2
SCHEMBL11160283 0.77 NR3C1 (0.43) TSHRNR3C1CYP2C19PGRNR3C2
SCHEMBL3426887 0.72 TSHR (0.52) TSHRALDH1A1KDM4E
SCHEMBL8086502 0.71 ALDH1A1 (0.49) CNR2ALDH1A1KDM4E
SCHEMBL11306094 0.69 TSHR (0.54) TSHRNR3C1NR1H2NR1H3CYP2C19
SCHEMBL5406966 0.68 NR3C1 (0.42) TSHRNR3C1CYP2C19PGRNR3C2
SCHEMBL7148219 0.68 TSHR (0.54) TSHRNR3C1CYP2C19CNR2PGR
SCHEMBL11348653 0.68 TSHR (0.41) TSHRATMNR3C1CYP2C19

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-5118986-A Electroluminescent device RICOH COMPANY, LTD. (JP) 1992-06-02 — — US claimed
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