SCHEMBL7146312

SCHEMBL7146312

COCCc1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.52
MAOB P27338 8/20 0.50
CYP19A1 P11511 5/20 0.48
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
MAOA P21397 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL5659 0.94 GFER (0.59) GFERMAOBCYP19A1CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL11206003 0.91 GFER (0.56) GFERMAOBCYP19A1CYP3A4ALDH1A1
SCHEMBL12926311 0.89 MAOB (0.48) MAOBALDH1A1NPC1RAB9AACACB
SCHEMBL7140180 0.82 MAOB (0.46) MAOBCYP19A1CYP3A4TDP1NPC1
SCHEMBL1338713 0.82 NR3C1 (0.44) MAOBCYP19A1TDP1ACACBACACA
SCHEMBL1165563 0.82 GFER (0.50) GFERMAOBCYP19A1CYP3A4ALDH1A1
SCHEMBL13625390 0.81 GFER (0.54) GFERMAOBCYP19A1CYP3A4ALDH1A1
SCHEMBL12736281 0.81 TAAR1 (0.46) MAOBALDH1A1TDP1TP53ACACB
SCHEMBL11103639 0.81 KCNH2 (0.48) MAOBACACBACACATSHRTAAR1
SCHEMBL14274245 0.81 TAAR1 (0.46) MAOBALDH1A1TDP1TP53ACACB

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 9 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
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US 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