SCHEMBL29627326

SCHEMBL29627326

Cc1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c(Br)c(N(c2cccc3ccccc23)c2cccc3ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ EDNRB P24530 1/20 0.32
▸ EDNRA P25101 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CCR4 P51679 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ CYP19A1 P11511 1/20 0.31

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
SCHEMBL29627323 0.91 SIGMAR1 (0.41) SIGMAR1NR1I2LMNAADRA2ACYP2D6
SCHEMBL29627290 0.87 SIGMAR1 (0.42) SIGMAR1NR1I2LMNAADRA2ACYP2D6
SCHEMBL29627279 0.87 SIGMAR1 (0.41) SIGMAR1EDNRBEDNRACYP1A2CYP2A6
SCHEMBL29627321 0.86 SIGMAR1 (0.39) SIGMAR1NR1I2LMNAADRA2ACYP2D6
SCHEMBL10053555 0.85 SIGMAR1 (0.47) SIGMAR1NR1I2LMNAADRA2ACYP2D6
SCHEMBL29627311 0.84 SIGMAR1 (0.36) SIGMAR1NR1I2LMNAADRA2ACYP2D6
SCHEMBL29627278 0.84 SIGMAR1 (0.36) SIGMAR1NR1I2LMNAADRA2ACYP2D6
SCHEMBL5386253 0.84 SIGMAR1 (0.43) SIGMAR1NR1I2LMNAADRA2ACYP2D6
SCHEMBL29627352 0.83 NPSR1 (0.35) CYP2D6SLC6A2SLC6A4KCNH2MEN1
SCHEMBL15783212 0.82 SIGMAR1 (0.44) SIGMAR1NR1I2LMNAADRA2ACYP2D6

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
WO-2022131768-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME 솔루스첨단소재 주식회사 2022-06-23 — — WO disclosed
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