SCHEMBL7140178

SCHEMBL7140178

COC(C)c1cccc(-c2ccc(N)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
PTPN5 P54829 2/20 0.39
MAOA P21397 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAOB P27338 2/20 0.37
CASR P41180 1/20 0.36
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 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
SCHEMBL17795032 0.84 RXRA (0.42) RXRARXRBRXRGCYP11B1CYP11B2
SCHEMBL7146307 0.81 TDP1 (0.48) TAAR1CYP3A4TDP1HSD17B10CYP11B1
SCHEMBL9157662 0.80 CYP3A4 (0.47) CYP3A4TDP1ALDH1A1TP53MAOB
SCHEMBL20852303 0.80 CYP3A4 (0.47) CYP3A4TDP1ALDH1A1TP53MAOB
SCHEMBL7901293 0.77 HDAC4 (0.41) CYP3A4TDP1CYP11B1CYP11B2ALDH1A1
SCHEMBL31508194 0.75 TDP1 (0.44) CYP3A4TDP1ALDH1A1TP53AKR1C2
SCHEMBL13450978 0.75 TDP1 (0.44) CYP3A4TDP1ALDH1A1TP53AKR1C2
SCHEMBL4921245 0.75 TDP1 (0.44) CYP3A4TDP1ALDH1A1TP53AKR1C2
SCHEMBL598181 0.72 RXRA (0.66) RXRARXRBRXRGCYP3A4TDP1
SCHEMBL14309787 0.72 TAAR1 (0.70) TAAR1CYP3A4TDP1HSD17B10MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789577-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2003-03-12 EP disclosed
EP-0671928-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2002-11-27 EP disclosed
EP-1258492-A1 N-substituted oligomers and methods for their synthesis, e.g. polyglycine bearing nucleic acid bases CHIRON CORPORATION (US) 2002-11-20 EP disclosed
US-5977301-A AUTOMATED AND EFFICIENT SYNTHESIS BY REACTING SOLID SUPPORT BOUND AMINE WITH AN ACYLATING SUBMONOMER TO PRODUCE A SOLID SUPPORT-BOUND AMIDE WHICH CAN BE FURTHER REACTED; ONLY REACTIVE SIDE CHAINS NEED PROTECTED CHIRON CORPORATION (US) 1999-11-02 US disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 US disclosed
US-5831005-A ACYLATION, NUCLEOPHILIC DISPLACEMENT CYCLES CHIRON CORPORATION (US) 1998-11-03 US disclosed
EP-0671928-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS. CHIRON CORP (US) 1997-04-23 EP disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
EP-0671928-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1995-09-20 EP disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 WO disclosed
WO-1994006451-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1994-03-31 WO disclosed