SCHEMBL6101074

SCHEMBL6101074

Cc1ccc(N2[C]N(c3ccc(C)cc3)CCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.42
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
F2 P00734 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
ALOX5 P09917 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ACHE P22303 1/20 0.36
GAA P10253 1/20 0.36
MGLL Q99685 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL2005353 0.91 ADRB1 (0.45) ADRB1KMT2AALDH1A1HTTF2
SCHEMBL6098689 0.76 SIGMAR1 (0.39) ADRB1KMT2APOLBALOX5LMNA
SCHEMBL18118476 0.73 ADRB1 (0.64) ADRB1KMT2APOLBALDH1A1HTT
SCHEMBL327765 0.69 ADRB1 (0.64) ADRB1KMT2APOLBALDH1A1PKM
SCHEMBL7105773 0.67 ADRB1 (0.70) ADRB1KMT2APOLBALDH1A1HTT
SCHEMBL10063748 0.67 ADRB1 (0.70) ADRB1KMT2APOLBALDH1A1HTT
SCHEMBL3414344 0.67 ADRB1 (0.70) ADRB1KMT2APOLBALDH1A1HTT
SCHEMBL82441 0.67 ADRB1 (0.61) ADRB1KMT2APOLBALDH1A1PKM
Hydrochloric Acid SCHEMBL16446845 0.67 ADRB1 (0.61) ADRB1KMT2APOLBALDH1A1PKM
SCHEMBL28567064 0.67 ADRB1 (0.61) ADRB1KMT2APOLBALDH1A1PKM

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-7084222-B2 Ruthenium complexes, process for preparation thereof, and processes for producing open-ring polymer of cycloolefins and hydrogenation products thereof by using the complex as catalyst ZEON CORPORATION (JP) 2006-08-01 US disclosed