SCHEMBL2109397

SCHEMBL2109397

NCN1CCC2(CC1)CNc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
AVPR1A P37288 1/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC1 Q13547 1/20 0.41
CCR5 P51681 1/20 0.40
PRNP P04156 1/20 0.40
OPRL1 P41146 3/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 1/20 0.37
KDM1A O60341 1/20 0.36
SIGMAR1 Q99720 10/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL12716046 0.84 TNKS (0.44) TNKSTNKS2AVPR1AKCNH2HDAC1
SCHEMBL12715975 0.84 TNKS (0.44) TNKSTNKS2AVPR1AKCNH2HDAC1
SCHEMBL15007673 0.82 TNKS (0.46) TNKSTNKS2AVPR1AKCNH2HDAC1
SCHEMBL6422849 0.82 SIGMAR1 (0.57) PRNPOPRL1SIGMAR1TP53CYP1A2
SCHEMBL12716107 0.82 CCR5 (0.46) TNKSTNKS2AVPR1AKCNH2HDAC1
SCHEMBL4268746 0.82 SIGMAR1 (0.48) TNKSTNKS2AVPR1ACCR5OPRM1
SCHEMBL29387299 0.81 PRNP (0.44) TNKSTNKS2AVPR1AKCNH2HDAC1
SCHEMBL28535748 0.81 AVPR1A (0.42) TNKSTNKS2AVPR1AKCNH2HDAC1
SCHEMBL2259734 0.81 PRNP (0.44) TNKSTNKS2AVPR1AKCNH2HDAC1
SCHEMBL1572043 0.81 TNKS (0.41) TNKSTNKS2AVPR1AKCNH2HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2224803-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2010-09-08 EP claimed
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 WO claimed
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
EP-2224803-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2010-09-08 EP disclosed
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 WO disclosed