SCHEMBL11550534

SCHEMBL11550534

CC(CCc1ccc2oc3ccc(CCC(C)CCN4CCCCC4)cc3c2c1)CCN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SIGMAR1 Q99720 3/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37

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
SCHEMBL11551109 0.78 SIGMAR1 (0.56) HRH3SIGMAR1HRH1CYP1A2CYP2D6
SCHEMBL11675971 0.77 HRH3 (0.41) HRH3SIGMAR1HRH1GRIN2DGRIN3B
SCHEMBL11550530 0.76 SIGMAR1 (0.45) MEN1KMT2AATMSIGMAR1TP53
SCHEMBL11552120 0.76 CYP1A2 (0.42) RAB9ASIGMAR1CYP1A2CYP2D6
SCHEMBL11554624 0.75 CYP1A2 (0.43) MEN1KMT2AATMRAB9ASIGMAR1
SCHEMBL11554941 0.74 SIGMAR1 (0.47) HRH3MEN1KMT2AATMSIGMAR1
SCHEMBL11751266 0.71 MAOB (0.60) HRH3SIGMAR1HRH1
SCHEMBL31604928 0.68 SLC26A4 (0.47) HRH3MEN1KMT2AATMABCB1
SCHEMBL11550232 0.65 CYP1A2 (0.50) MEN1KMT2ARAB9AGRIN2DCYP1A2
SCHEMBL1797372 0.65 SIGMAR1 (0.66) HRH3SIGMAR1TSHR

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-4146624-A METHOD OF TREATING VIRUSES WITH BIS-BASIC KETONES OF DIBENZOFURAN RICHARDSON-MERRELL INC. (US) 1979-03-27 — — US disclosed
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