SCHEMBL23544317

SCHEMBL23544317

CC1CC=Cc2c1n(-c1cccc(Cn3c4c(c5ccccc53)C=CCC4)c1)c1ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL25956652 0.78 KDM4E (0.40) —
SCHEMBL22415195 0.78 KDM4E (0.40) —
SCHEMBL21131691 0.75 MAPT (0.39) ALDH1A1MEN1KMT2A
SCHEMBL11946340 0.73 — —
SCHEMBL23839219 0.72 KDM4E (0.33) —
SCHEMBL21765759 0.72 CA1 (0.52) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL14141240 0.71 ATM (0.35) HTR1AALDH1A1MEN1KMT2A
SCHEMBL25879209 0.71 KDM4E (0.37) —
SCHEMBL22185942 0.71 KDM4E (0.34) —
SCHEMBL21845438 0.70 ATM (0.35) ALDH1A1

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
EP-3838908-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2021-06-23 — — EP disclosed
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