SCHEMBL9184287

SCHEMBL9184287

BrCCCOc1cccc2ncccc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 7/20 0.46
▸ HTR1A P08908 4/20 0.44
▸ HTR1B P28222 2/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ SLC6A4 P31645 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYBB P04839 2/20 0.42
▸ NOX5 Q96PH1 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NR3C1 P04150 1/20 0.40
▸ CACNA2D1 P54289 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
SCHEMBL9186984 0.95 NCF1 (0.49) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL2164367 0.94 NCF1 (0.51) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL5211140 0.92 HTR1A (0.45) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL23412188 0.90 NCF1 (0.51) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL23412437 0.88 NCF1 (0.58) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL23412378 0.88 MAPT (0.52) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL8068790 0.85 ALDH1A1 (0.48) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL8058421 0.83 NCF1 (0.50) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL94707 0.83 NCF1 (0.46) NCF1HTR1AHTR1BHTR1DSLC6A4
SCHEMBL827493 0.83 HTR1B (0.47) NCF1HTR1AHTR1BHTR1DSLC6A4

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
EP-0658160-A1 ANTIPSYCHOTIC QUINOLINE DERIVATIVES OF BENZODIOXANMETHYLAMINE AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-21 — — EP disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 — — US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 — — EP disclosed
WO-1994005655-A1 ANTIPSYCHOTIC QUINOLINE DERIVATIVES OF BENZODIOXANMETHYLAMINE AMERICAN HOME PRODUCTS CORPORATION (US) 1994-03-17 — — WO disclosed
US-5235055-A Antipsychotic quinoline derivatives of benzodioxanmethylamine AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-10 — — US disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 — — US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 — — US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 — — EP disclosed
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