SCHEMBL11677640

SCHEMBL11677640

O=C1c2cc(CCCCCN3CCOCC3)ccc2-c2ccc(CCCCCN3CCOCC3)cc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.50
▸ POLB P06746 1/20 0.50
▸ LSS P48449 1/20 0.47
▸ THRA P10827 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ PARP1 P09874 2/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KCNJ1 P48048 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR6 P50406 1/20 0.41

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
SCHEMBL11678845 0.82 NPC1 (0.57) SIGMAR1POLBLSSTHRATHRB
SCHEMBL11784879 0.81 SIGMAR1 (0.60) SIGMAR1
Hydrochloric Acid SCHEMBL11780956 0.80 SIGMAR1 (0.59) SIGMAR1
SCHEMBL11562471 0.77 SIGMAR1 (0.60) SIGMAR1HTTKCNH2
SCHEMBL11681318 0.76 SIGMAR1 (0.68) SIGMAR1KCNH2
SCHEMBL11677632 0.75 ALDH1A1 (0.60) THRATHRBKMT2AHTT
SCHEMBL19043651 0.74 ALDH1A1 (0.56) SIGMAR1POLBLSSKMT2AHTT
SCHEMBL4984757 0.73 SIGMAR1 (0.63) SIGMAR1POLBTHRATHRBKMT2A
SCHEMBL11680844 0.73 ALDH1A1 (0.65) THRATHRBKMT2AHTT
SCHEMBL8948040 0.73 HTR1A (0.61) SIGMAR1POLBLSSHTR1ADRD2

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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