SCHEMBL6791318

SCHEMBL6791318

Cc1ccccc1-c1ccccc1CN1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.59
KMT2A Q03164 2/20 0.54
CYP2A13 Q16696 1/20 0.53
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
ACHE P22303 1/20 0.51
HRH3 Q9Y5N1 1/20 0.47
CHRNA7 P36544 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL2491500 0.87 KMT2A (0.49) HTR7KMT2ACYP2A13ALDH1A1LMNA
SCHEMBL2491547 0.85 ALDH1A1 (0.49) HTR7KMT2ACYP2A13ALDH1A1LMNA
SCHEMBL329437 0.85 KMT2A (0.72) KMT2ACYP2A13ALDH1A1LMNAACHE
SCHEMBL1111691 0.85 HTR7 (0.56) HTR7KMT2ACYP2A13ALDH1A1LMNA
SCHEMBL1882777 0.83 KMT2A (0.70) KMT2ACYP2A13ALDH1A1LMNAACHE
SCHEMBL1164984 0.83 KMT2A (0.70) KMT2ACYP2A13ALDH1A1LMNAACHE
SCHEMBL11371772 0.82 ACHE (0.56) HTR7KMT2ACYP2A13ALDH1A1LMNA
SCHEMBL11849036 0.81 ALDH1A1 (0.55) HTR7KMT2AALDH1A1LMNAHRH3
Hydrochloric Acid SCHEMBL23850614 0.79 LMNA (0.71) KMT2ACYP2A13ALDH1A1LMNAACHE
SCHEMBL12856255 0.79 KMT2A (0.76) KMT2ACYP2A13ALDH1A1LMNAACHE

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