SCHEMBL11679983

SCHEMBL11679983

CC(CCCc1ccc2c(c1)Cc1cc(CCCC(C)N3CCCCC3)ccc1-2)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 8/20 0.38
▸ SIGMAR1 Q99720 8/20 0.38
▸ KCNH2 Q12809 6/20 0.37
▸ HTT P42858 1/20 0.36
▸ MMP2 P08253 2/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HRH1 P35367 1/20 0.33

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
SCHEMBL11798128 0.85 TRPV1 (0.37) TMEM97SIGMAR1KCNH2MEN1KMT2A
SCHEMBL11677856 0.81 HTT (0.39) SIGMAR1KCNH2HTTKMT2ANPC1
SCHEMBL11554624 0.77 CYP1A2 (0.43) TMEM97SIGMAR1KCNH2MEN1KMT2A
SCHEMBL11677519 0.76 MMP2 (0.38) TMEM97SIGMAR1KCNH2HTTMMP2
SCHEMBL11675971 0.74 HRH3 (0.41) SIGMAR1HTTTP53TSHRKDM4E
SCHEMBL11782472 0.74 HRH1 (0.58) SIGMAR1KCNH2KDM4EHRH1
SCHEMBL30293069 0.73 GRIN2D (0.40) MMP2MMP3MEN1KMT2ANPC1
SCHEMBL11679975 0.73 KDM4E (0.52) HTTMEN1KMT2ANPC1TP53
SCHEMBL11680152 0.72 SIGMAR1 (0.58) SIGMAR1KDM4EHRH1
Hydrochloric Acid SCHEMBL11678798 0.71 SIGMAR1 (0.56) TMEM97SIGMAR1KDM4EHRH1

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-4064347-A Bis-basic ketones of fluorene and fluorenone RICHARDSON-MERRELL INC. (US) 1977-12-20 — — US disclosed
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