SCHEMBL14529908

SCHEMBL14529908

CCOC(=O)C1OC2(CCNCC2)c2ccc(OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.48
▸ ALOX15 P16050 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTR2C P28335 2/20 0.37
▸ OPRM1 P35372 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ HTR2B P41595 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
SCHEMBL14530270 0.76 OPRD1 (0.59) SIGMAR1POLBLMNA
SCHEMBL11843293 0.72 SIGMAR1 (0.44) SIGMAR1HTR2CSLC6A2HTR2BSLC6A3
SCHEMBL18169342 0.71 ALDH1A1 (0.47) SIGMAR1ALOX15ALDH1A1TDP1MEN1
SCHEMBL10515637 0.69 HTR2A (0.49) ALOX15KMT2AHTR2CHTR2BMAPKAPK2
SCHEMBL14530329 0.68 SIGMAR1 (0.63) SIGMAR1OPRM1ADRA2AOPRK1
SCHEMBL11684159 0.68 SIGMAR1 (0.44) SIGMAR1MEN1KMT2AHTR2CSLC6A2
SCHEMBL14529832 0.67 SIGMAR1 (0.72) SIGMAR1ADRA2A
SCHEMBL11739762 0.67 SIGMAR1 (0.37) SIGMAR1ALDH1A1HTR2COPRM1ADRB2
SCHEMBL24650763 0.67 ALDH1A1 (0.43) SIGMAR1ALOX15ALDH1A1TDP1MEN1
SCHEMBL11737034 0.67 RAB9A (0.35) SIGMAR1ALDH1A1MEN1TSHRKMT2A

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-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 — — WO disclosed
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