SCHEMBL6793565

SCHEMBL6793565

c1ccc2cc(CN3CC4C[N]CC4C3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ACHE P22303 2/20 0.54
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
CYP2D6 P10635 1/20 0.51
KCNH2 Q12809 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
PKM P14618 1/20 0.50
CHKA P35790 1/20 0.48
FAAH O00519 2/20 0.47
MC4R P32245 1/20 0.47

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
SCHEMBL3115573 0.80 FUCA1 (0.55) ACHESIGMAR1
SCHEMBL6797082 0.80 DPP4 (0.54) FAAH
SCHEMBL27999347 0.76 KMT2A (0.89) KMT2AACHEPKMCHKAFAAH
SCHEMBL10700661 0.76 KMT2A (0.70) KMT2AACHEPKMCHKAFAAH
SCHEMBL6797735 0.74 FAAH (0.49) CYP2D6FAAHDRD4MCHR1OPRM1
SCHEMBL31392631 0.73 CHKA (0.79) KMT2AACHEPKMCHKAFAAH
SCHEMBL31097161 0.73 KMT2A (0.77) KMT2AACHESIGMAR1PKMCHKA
SCHEMBL6356329 0.73 DRD4 (0.46) SIGMAR1DRD4
SCHEMBL6798169 0.72 ACHE (0.54) KMT2AACHEHDAC1HDAC8HDAC6
SCHEMBL4750742 0.71 KMT2A (1.00) KMT2AACHESIGMAR1PKMCHKA

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