SCHEMBL2803722

SCHEMBL2803722

COC1CCc2sc3c(N4CCCNCC4)ncnc3c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
DRD2 P14416 1/20 0.43
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
ADRB1 P08588 1/20 0.40
ENPP1 P22413 1/20 0.38
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CHRM4 P08173 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2800566 0.87 KMT2A (0.48) HTR2CDRD2KMT2ATSHRNPSR1
SCHEMBL604727 0.83 ADRB1 (0.46) HTR2CADRB1PRKCI
Hydrochloric Acid SCHEMBL4130738 0.82 ADRB1 (0.45) HTR2CADRB1PRKCI
SCHEMBL604186 0.78 ADRB1 (0.47) HTR2CADRB1
Hydrochloric Acid SCHEMBL4126473 0.78 ADRB1 (0.46) HTR2CADRB1
SCHEMBL605467 0.77 DRD2 (0.64) HTR2CDRD2KMT2ATSHRNPSR1
SCHEMBL2803724 0.74 KDM4E (0.45) HTR2CDRD2KMT2ATSHRNPSR1
SCHEMBL605086 0.70 ADRB1 (0.49) HTR2CKMT2AADRB1NPC1MAPT
Hydrochloric Acid SCHEMBL4131516 0.69 ADRB1 (0.48) HTR2CKMT2AADRB1NPC1MAPT
SCHEMBL605525 0.67 HRH4 (0.47) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200595-A2 THIENO-AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2010-06-30 EP claimed
WO-2009038673-A2 THIENO-AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-26 WO claimed