SCHEMBL1669462

SCHEMBL1669462

NC(=O)OC(C(=O)c1ccccc1)(c1ccccc1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ SCN1A P35498 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SCN2A Q99250 1/20 0.48
▸ SCN3A Q9NY46 1/20 0.48
▸ CES1 P23141 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ CHRM2 P08172 4/20 0.35
▸ CHRM1 P11229 4/20 0.35
▸ CHRM3 P20309 4/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ CHEK1 O14757 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
SCHEMBL959566 0.72 KMT2A (0.57) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL22634040 0.71 MEN1 (0.49) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL27626467 0.70 KMT2A (0.54) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL22372789 0.69 TSHR (0.46) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL30507766 0.68 CES1 (0.46) LMNACYP2D6KMT2ACES1
SCHEMBL10361030 0.68 CYP2D6 (0.51) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL953947 0.67 KMT2A (0.50) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL4396455 0.67 KMT2A (0.50) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL958241 0.67 KMT2A (0.50) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL22645649 0.67 LMNA (0.43) HRH1MEN1LMNACYP2D6SCN1A

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
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 — — WO disclosed
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