SCHEMBL8816552

SCHEMBL8816552

c1ccc(C(c2ccccc2)(c2ccccc2)n2cc(-c3ccccc3CNC3CCCCCC3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CD274 Q9NZQ7 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 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
SCHEMBL8808906 0.83 HRH3 (0.55) KMT2AKDM4EALDH1A1MEN1HDAC1
SCHEMBL9057181 0.76 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3KMT2AKDM4E
SCHEMBL5872540 0.75 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3KMT2AKDM4E
SCHEMBL5872547 0.69 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KMT2AKDM4E
SCHEMBL19078741 0.69 GRM4 (0.41) ALDH1A1
SCHEMBL8809135 0.67 MAP4K4 (0.45) KMT2AALDH1A1MEN1HRH3
SCHEMBL70574 0.67 L3MBTL1 (0.44) KMT2AALDH1A1MEN1TYRO3L3MBTL1
SCHEMBL29771432 0.67 L3MBTL1 (0.41) KMT2AMEN1AXLL3MBTL1
SCHEMBL17276686 0.67 TRPA1 (0.43) ALOX15
SCHEMBL20979197 0.66 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 — — EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 — — WO disclosed
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