SCHEMBL6413980

SCHEMBL6413980

CCCCNc1ccc(C(=O)O)c(CC)c1CCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
HCAR3 P49019 3/20 0.40
LMNA P02545 2/20 0.40
CNR1 P21554 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAOA P21397 1/20 0.40
DRD4 P21917 1/20 0.40
ACHE P22303 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAPK1 P28482 1/20 0.40
NTSR1 P30989 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SCN1A P35498 1/20 0.40
HTR2B P41595 1/20 0.40
SCN7A Q01118 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL7708520 0.81 KDM4C (0.52) KDM6BKDM4CHCAR3CNR1CISD1
SCHEMBL11252644 0.78 PLK1 (0.47) KDM6BKDM4CHCAR3CNR1CISD1
Hydrochloric Acid SCHEMBL28909832 0.76 KDM4C (0.50) KDM6BKDM4CHCAR3CNR1CISD1
SCHEMBL15774412 0.75 NCF1 (0.39) KDM6BKDM4CHRH3KDM4EHPGD
SCHEMBL9481778 0.74 TAAR1 (0.43) CYP1A2DRD4ACHEHTR2AHTR2C
SCHEMBL1894574 0.73 LMNA (0.49) KDM6BKDM4CHCAR3LMNACNR1
SCHEMBL29033346 0.72 KDM6B (0.57) KDM6BKDM4CHCAR3CNR1CISD1
SCHEMBL9242441 0.71 CA12 (0.41) KDM6BKDM4CLMNACNR1CYP1A2
Hydrochloric Acid SCHEMBL9124351 0.70 LMNA (0.42) KDM6BKDM4CLMNACNR1CYP1A2
SCHEMBL294836 0.69 CYP1A2 (0.50) CYP1A2KDM4ERAB9AHPGDCA12

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-20050014823-A1 Topical anesthetic composition and method of administration HAWKINS CHEMICAL, INC. 2005-01-20 US disclosed