SCHEMBL13636164

SCHEMBL13636164

C=C(CCc1cccnc1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
C3AR1 Q16581 5/20 0.47
TRPV6 Q9H1D0 3/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL4384086 0.87 C3AR1 (0.62) C3AR1KMT2AALDH1A1KDM4ETSHR
SCHEMBL4382207 0.85 C3AR1 (0.61) C3AR1KMT2AALDH1A1KDM4ETSHR
SCHEMBL2831484 0.76 C3AR1 (0.61) C3AR1
SCHEMBL4377443 0.71 TRPV6 (0.52) POLBTRPV6KMT2AALDH1A1KDM4E
SCHEMBL31329931 0.69 TRPV6 (0.80) TRPV6ALDH1A1KDM4E
SCHEMBL31329872 0.69 TRPV6 (0.62) TRPV6
SCHEMBL10305181 0.68 NPC1 (0.67) C3AR1
SCHEMBL28283653 0.67 CHRNB2 (0.71) TRPV6ALDH1A1KDM4E
SCHEMBL29615692 0.67 TRPV6 (0.62) POLBTRPV6KMT2AALDH1A1KDM4E
SCHEMBL29615698 0.67 TRPV6 (0.62) POLBTRPV6KMT2AALDH1A1KDM4E

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
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed