SCHEMBL9027895

SCHEMBL9027895

COc1ccc(CCNC2CCN(CCc3ccc(OC)c(OC)c3)CC2)cc1OC

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 2/20 0.55
▸ SIGMAR1 Q99720 2/20 0.55
▸ TMEM97 Q5BJF2 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ HTR1A P08908 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ABCB1 P08183 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ TSHR P16473 1/20 0.50

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
SCHEMBL5270855 0.87 EBP (0.69) EBPSIGMAR1TMEM97ABCB1
SCHEMBL1965491 0.86 ATM (0.63) ALDH1A1SMN1; SMN2HTTPOLBATM
SCHEMBL9027195 0.84 SIGMAR1 (0.54) EBPSIGMAR1TMEM97ALDH1A1HTR1A
SCHEMBL1678220 0.82 KMT2A (0.67) ALDH1A1SMN1; SMN2HTTPOLBATM
SCHEMBL27337543 0.79 SIGMAR1 (0.64) EBPSIGMAR1TMEM97
SCHEMBL3824304 0.79 HTR1A (0.61) EBPSIGMAR1TMEM97HTR1ASLC6A4
SCHEMBL27334030 0.78 SIGMAR1 (0.56) EBPSIGMAR1TMEM97ALDH1A1HTR1A
SCHEMBL27334031 0.78 SIGMAR1 (0.56) EBPSIGMAR1TMEM97ALDH1A1HTR1A
SCHEMBL9028851 0.77 ADRA1D (0.55) EBPSIGMAR1TMEM97ALDH1A1SMN1; SMN2
SCHEMBL8828288 0.76 SIGMAR1 (0.54) EBPSIGMAR1TMEM97HTR1ASLC6A4

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
EP-0700385-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1996-03-13 — — EP disclosed
WO-1994027967-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1994-12-08 — — WO disclosed
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