SCHEMBL6797735

SCHEMBL6797735

c1ccc2nc(CN3CC4C[N]CC4C3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.49
DRD4 P21917 1/20 0.47
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
PDE2A O00408 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MCHR1 Q99705 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL15084352 0.79 FAAH (0.49) FAAHDRD4HTR1AHTR7PDE2A
SCHEMBL17289123 0.79 FAAH (0.65) FAAHDRD4HTR1AHTR7MCHR1
SCHEMBL1331198 0.79 FAAH (0.65) FAAHDRD4HTR1AHTR7MCHR1
SCHEMBL6584608 0.74 FAAH (0.60) FAAHDRD4HTR1AHTR7PDE2A
SCHEMBL6793565 0.74 KMT2A (0.55) FAAHDRD4CYP2D6MCHR1OPRM1
SCHEMBL14197738 0.74 DRD4 (0.51) FAAHDRD4HTR1AHTR7PDE2A
SCHEMBL28824423 0.73 FAAH (0.56) FAAHDRD4HTR1AHTR7PDE2A
Hydrochloric Acid SCHEMBL4221712 0.72 DRD4 (0.50) FAAHDRD4HTR1AHTR7PDE2A
SCHEMBL6797082 0.72 DPP4 (0.54) FAAH
SCHEMBL1331766 0.72 HRH3 (0.63) FAAHDRD4HTR1AHTR7CYP1A2

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
US-6821964-B2 FOR PROPHYLAXIS AND THERAPY OF DISEASES ASSOCIATED WITH MONOCYTE ACCUMULATION, LYMPHOCYTE ACCUMULATION OR LEUCOCYTE ACCUMULATION PFIZER INC 2004-11-23 US disclosed