SCHEMBL10187268

SCHEMBL10187268

Bc1ccc(OC2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.48
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.42
FURIN P09958 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
HRH1 P35367 1/20 0.41
FFAR1 O14842 1/20 0.40
ALOX12 P18054 1/20 0.40
EPHX2 P34913 4/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACACB O00763 1/20 0.38

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
SCHEMBL12260856 0.98 PARP10 (0.47) PARP10ALDH1A1TSHRHPGDFURIN
SCHEMBL470127 0.91 HRH1 (0.43) PARP10ALDH1A1TSHRFURINHRH3
SCHEMBL2242868 0.85 PARP10 (0.55) PARP10ALDH1A1TSHRHPGDFURIN
SCHEMBL18620969 0.81 HRH1 (0.66) HRH3HRH1
SCHEMBL747626 0.79 PARP10 (0.55) PARP10ALDH1A1TSHRHPGDFURIN
SCHEMBL623629 0.77 PARP10 (0.53) PARP10ALDH1A1TSHRHPGDFURIN
SCHEMBL1837838 0.77 PARP10 (0.53) PARP10ALDH1A1TSHRHPGDFURIN
SCHEMBL9304772 0.77 SLC6A4 (0.58) PARP10ALDH1A1TSHRHPGDFURIN
SCHEMBL7541489 0.77 PARP10 (0.48) PARP10ALDH1A1TSHRHPGDFURIN
SCHEMBL8171032 0.77 EGFR (0.49) PARP10ALDH1A1TSHRHPGDFURIN

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-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed