SCHEMBL11798128

SCHEMBL11798128

CC(CCCc1ccc2c(c1)Cc1cc(CCCC(C)N3CCCCC3)ccc1O2)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.37
▸ TMEM97 Q5BJF2 10/20 0.36
▸ SIGMAR1 Q99720 10/20 0.36
▸ KCNH2 Q12809 9/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL11679983 0.85 TMEM97 (0.38) TMEM97SIGMAR1KCNH2MEN1KMT2A
SCHEMBL11554624 0.79 CYP1A2 (0.43) TMEM97SIGMAR1KCNH2MEN1KMT2A
SCHEMBL11797650 0.78 TMEM97 (0.33) TMEM97SIGMAR1KCNH2
SCHEMBL11798123 0.75 ALDH1A1 (0.43) MEN1KMT2AKDM4E
SCHEMBL11751988 0.75 SIGMAR1 (0.54) TRPV1SIGMAR1
SCHEMBL23731783 0.70 TMEM97 (0.50) TMEM97SIGMAR1KCNH2MEN1KMT2A
SCHEMBL16363451 0.68 TMEM97 (0.44) TMEM97SIGMAR1KCNH2MEN1KMT2A
SCHEMBL11677856 0.68 HTT (0.39) SIGMAR1KCNH2KMT2AKDM4E
SCHEMBL11801336 0.67 HDAC1 (0.38) TRPV1
SCHEMBL14731739 0.67 SIGMAR1 (0.69) TMEM97SIGMAR1KCNH2

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-3957989-A ADMINISTERING RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
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