SCHEMBL11513574

SCHEMBL11513574

CN(C)CCCNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HTT P42858 2/20 0.57
PKM P14618 1/20 0.57
EPHX2 P34913 2/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.45
HSD11B1 P28845 2/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43

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
Hydrochloric Acid SCHEMBL11516217 0.98 ALDH1A1 (0.59) ALDH1A1KDM4EHTTPKMEPHX2
SCHEMBL29993803 0.90 ALDH1A1 (0.68) ALDH1A1KDM4EHTTPKMEPHX2
SCHEMBL25174535 0.86 ALDH1A1 (0.59) ALDH1A1KDM4EHTTPKMEPHX2
SCHEMBL17702625 0.81 KMT2A (0.70) ALDH1A1KDM4EHTTEPHX2KMT2A
SCHEMBL28334704 0.79 KDM4E (0.68) ALDH1A1KDM4EHTTEPHX2KMT2A
SCHEMBL20999491 0.79 KDM4E (0.63) ALDH1A1KDM4EHTTEPHX2KMT2A
SCHEMBL12422575 0.79 KDM4E (0.58) KDM4EHTTEPHX2KMT2AMEN1
SCHEMBL27004615 0.78 HTT (0.62) ALDH1A1KDM4EHTTEPHX2KMT2A
SCHEMBL17755397 0.77 HTT (0.57) ALDH1A1KDM4EHTTEPHX2KMT2A
SCHEMBL19426816 0.76 KDM4E (0.59) ALDH1A1KDM4EHTTEPHX2KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4143127-A CONTAINING ADAMAMTANE RING COLGATE PALMOLIVE COMPANY (US) 1979-03-06 US disclosed
US-4123516-A Quaternary compounds having anti-microbial activity COLGATE-PALMOLIVE COMPANY (US) 1978-10-31 US disclosed
US-4123515-A Quaternary compounds having anti-microbial activity COLGATE-PALMOLIVE COMPANY (US) 1978-10-31 US disclosed
US-4123514-A Quaternary compounds having anti-microbial activity COLGATE-PALMOLIVE COMPANY (US) 1978-10-31 US disclosed
US-4123513-A Quaternary compounds having anti-microbial activity COLGATE-PALMOLIVE COMPANY (US) 1978-10-31 US disclosed
US-4102994-A Aliphatic amido-quaternary ammonium anti-microbial compounds COLGATE-PALMOLIVE COMPANY (US) 1978-07-25 US disclosed
US-4046873-A Alicyclic amido-quaternary ammonium anti-bacterial agents COLGATE PALMOLIVE COMPANY (US) 1977-09-06 US disclosed
US-3992431-A ALSO ANTICARIES AND ANTICALCULUS ACTIVITY COLGATE-PALMOLIVE COMPANY (US) 1976-11-16 US disclosed