SCHEMBL13397208

SCHEMBL13397208

CC(C)CN1CCCc2ccc(N)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.48
▸ ATAD2 Q6PL18 1/20 0.48
▸ HTR2A P28223 4/20 0.47
▸ HTR2C P28335 4/20 0.47
▸ HTR2B P41595 4/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ PIK3CD O00329 1/20 0.44
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HDAC1 Q13547 4/20 0.38

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
SCHEMBL6683534 0.83 HRH3 (0.51) BRD4ATAD2HTR2AHTR2CHTR2B
SCHEMBL16274465 0.80 KMT2A (0.60) BRD4ATAD2CYP3A4CHRM2CHRM4
SCHEMBL4428784 0.79 BRD4 (0.40) BRD4ATAD2HTR2AHTR2CHTR2B
SCHEMBL24077203 0.78 HTR2A (0.46) ATAD2HTR2AHTR2CHTR2BCYP1A2
SCHEMBL13416744 0.78 ALDH1A1 (0.61) CYP2D6PIK3CDCHRM2CHRM4KMT2A
SCHEMBL20544210 0.77 BRD4 (0.49) BRD4ATAD2CYP3A4CHRM2CHRM4
SCHEMBL2674785 0.77 ALDH1A1 (0.52) BRD4ATAD2CYP3A4KMT2ALMNA
SCHEMBL4436018 0.77 REN (0.52) BRD4ATAD2CYP3A4CHRM2CHRM4
SCHEMBL15037580 0.77 BRD4 (0.43) BRD4ATAD2CYP3A4CHRM2CHRM4
SCHEMBL15037993 0.77 HRH3 (0.43) BRD4ATAD2HTR2ACYP3A4KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119278226-A Resin composition 株式会社日本触媒 2025-01-07 — — CN disclosed
WO-2024024442-A1 RESIN COMPOSITION 株式会社日本触媒 2024-02-01 — — WO disclosed
WO-2023189775-A1 RESIN COMPOSITION, MOLDED BODY, AND OPTICAL ELEMENT 日本ゼオン株式会社 2023-10-05 — — WO disclosed
US-20100098898-A1 AZO METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO., LTD (JP) 2010-04-22 — — US disclosed
US-20100098898-A1 AZO METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO., LTD (JP) 2010-04-22 — — US disclosed
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