SCHEMBL8953682

SCHEMBL8953682

COc1ccc(CCCN2CCCN(CCCCc3ccccc3)CC2)cc1OC

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.83
EBP Q15125 2/20 0.83
TMEM97 Q5BJF2 1/20 0.83
EBPL Q9BY08 1/20 0.72
ABCB1 P08183 1/20 0.67
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59

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
Hydrochloric Acid SCHEMBL466981 0.99 SIGMAR1 (0.81) SIGMAR1EBPTMEM97EBPLABCB1
Hydrochloric Acid SCHEMBL8075041 0.95 SIGMAR1 (0.88) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL8083210 0.94 SIGMAR1 (0.95) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL8086559 0.92 SIGMAR1 (0.92) SIGMAR1EBPTMEM97EBPLABCB1
Hydrochloric Acid SCHEMBL8075024 0.92 SIGMAR1 (0.92) SIGMAR1EBPTMEM97EBPLABCB1
Hydrochloric Acid SCHEMBL8086545 0.91 SIGMAR1 (0.90) SIGMAR1EBPTMEM97EBPLABCB1
[11C]Sa4503 SCHEMBL968642 0.91 SIGMAR1 (1.00) SIGMAR1EBPTMEM97EBPLABCB1
[11C]Sa4503 SCHEMBL29358558 0.91 SIGMAR1 (1.00) SIGMAR1EBPTMEM97EBPLABCB1
Hydrochloric Acid SCHEMBL8074974 0.90 SIGMAR1 (0.88) SIGMAR1EBPTMEM97EBPLABCB1
Hydrochloric Acid SCHEMBL8088187 0.90 SIGMAR1 (0.97) SIGMAR1EBPTMEM97EBPLABCB1

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
JP-8059632-A None JP disclosed
JP-H0859632-A NEW 1,4-(DIPHENYLALKYL)HOMOPIPERAZINE DERIVATIVE SANTEN PHARMACEUT CO LTD 1996-03-05 JP disclosed