SCHEMBL8972603

SCHEMBL8972603

CCCCCCCCCCC(O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.44
KCNH2 Q12809 2/20 0.44
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
SPHK1 Q9NYA1 1/20 0.37
FFAR1 O14842 1/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL27588961 1.00 KCNA5 (0.44) KCNA5KCNH2HTTKMT2AMEN1
SCHEMBL11743635 0.98 KCNA5 (0.42) KCNA5KCNH2HTTKMT2AMEN1
SCHEMBL20863035 0.92 KCNH2 (0.42) KCNA5KCNH2HTTKMT2AMEN1
SCHEMBL8972636 0.86 GPR84 (0.43) HTTGPR84SPHK1FFAR1LMNA
SCHEMBL3921352 0.86 GPR84 (0.43) HTTGPR84SPHK1FFAR1LMNA
SCHEMBL2284208 0.84 ALDH1A1 (0.41) KCNA5KCNH2HTTKMT2AMEN1
SCHEMBL3932573 0.84 GPR84 (0.40) HTTGPR84SPHK1FFAR1LMNA
SCHEMBL3926243 0.82 GPR84 (0.41) HTTKMT2AMEN1GPR84SPHK1
SCHEMBL23381218 0.81 KCNH2 (0.43) KCNA5KCNH2HTTKMT2AMEN1
SCHEMBL18403079 0.81 KCNH2 (0.43) KCNA5KCNH2HTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268222-B1 Penetration enhancers for transdermal delivery of systemic agents RES TRIANGLE PHARM LTD (US) 1996-03-27 EP disclosed
EP-0582065-A1 1-Oxohydrocarbyl-substituted azacyclohexanes compositions used as acid catalyst WHITBY RESEARCH, Inc. (US) 1994-02-09 EP disclosed
EP-0280703-B1 COMPOSITIONS COMPRISING 1-ACYL-SUBSTITUTED MORPHOLINES, THIOMORPHOLINES AND PIPERAZINES AND THEIR USES WHITBY RESEARCH INC (US) 1993-12-29 EP disclosed
US-5073544-A Penetration promoters WHITBY, INC. (US) 1991-12-17 US disclosed
US-4917896-A PIPERAZINE, MORPHOLINE OR THIOMORPHOLINE DERIVATIVE NELSON RESEARCH & DEVELOPMENT CO. (US) 1990-04-17 US disclosed
EP-0268222-A2 Penetration enhancers for transdermal delivery of systemic agents RESEARCH TRIANGLE PHARMACEUTICALS LTD. (US) 1988-05-25 EP disclosed