SCHEMBL17613404

SCHEMBL17613404

CCCc1ccc2c(NCC)ccnc2n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 7/20 0.37
ADRA1D P25100 7/20 0.37
ADRA1A P35348 7/20 0.37
ADRA1B P35368 7/20 0.37
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.34
SREBF2 Q12772 5/20 0.34
HTT P42858 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
SCHEMBL15268008 0.89 KDM4E (0.37) KDM4ELMNACYP3A4TSHRHTR1A
SCHEMBL15290719 0.88 IDO1 (0.40) IDO1KDM4ELMNAHTR1AADRA1D
SCHEMBL13230482 0.84 SREBF2 (0.42) IDO1KDM4ELMNACYP3A4TSHR
SCHEMBL15268009 0.83 HTR1A (0.38) IDO1KDM4EHTR1AADRA1DADRA1A
SCHEMBL13330355 0.80 HTR1A (0.38) IDO1KDM4ELMNAHTR1AADRA1D
SCHEMBL15268011 0.80 HTT (0.41) IDO1KDM4ELMNAHTR1AADRA1D
SCHEMBL17613400 0.78 TRPV1 (0.39) IDO1LMNAHTR1AADRA1DADRA1A
SCHEMBL2970208 0.78 KDM4E (0.42) IDO1KDM4ELMNACYP3A4TSHR
SCHEMBL2961850 0.78 KDM4E (0.39) KDM4ELMNACYP3A4TSHRHSD17B10
SCHEMBL17613403 0.75 CXCR4 (0.43) IDO1

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-2367824-B1 Anti-viral derivatives of pyrimidine ABBVIE INC (US) 2016-03-23 EP disclosed