SCHEMBL4379428

SCHEMBL4379428

Nc1nc2c(c(N3CCNCC3)n1)CCCCC2C(=O)c1cncc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 17/20 0.54
HRH3 Q9Y5N1 7/20 0.54
KCNH2 Q12809 3/20 0.40
ADRB1 P08588 1/20 0.38
TACR2 P21452 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
CCR1 P32246 1/20 0.38
HRH1 P35367 1/20 0.38
AVPR1A P37288 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 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
SCHEMBL603607 0.86 HRH4 (0.66) HRH4HRH3KCNH2ADRB1TACR2
SCHEMBL606471 0.76 HRH4 (0.59) HRH4HRH3KCNH2ADRB1TACR2
SCHEMBL606676 0.70 HRH4 (1.00) HRH4HRH3KCNH2ADRB1TACR2
SCHEMBL603530 0.67 HRH4 (0.93) HRH4HRH3KCNH2ADRB1TACR2
SCHEMBL606371 0.66 HRH4 (0.57) HRH4HRH3KCNH2ADRB1TACR2
SCHEMBL606370 0.66 HRH4 (0.57) HRH4HRH3KCNH2ADRB1TACR2
SCHEMBL604362 0.66 HRH4 (0.57) HRH4HRH3KCNH2ADRB1TACR2
SCHEMBL604363 0.66 HRH4 (0.57) HRH4HRH3KCNH2ADRB1TACR2
SCHEMBL604361 0.66 HRH4 (0.57) HRH4HRH3KCNH2ADRB1TACR2
SCHEMBL604979 0.65 HRH4 (0.70) HRH4HRH3KCNH2ADRB1TACR2

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-2009123967-A1 5,6,7,8-TETRAHYDROQUINAZOLIN-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ASTHMA ABBOTT LABORATORIES (US) 2009-10-08 WO disclosed