SCHEMBL7386422

SCHEMBL7386422

COc1cccc2[nH]cc(C(=O)C(Cl)(Cl)Cl)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.49
▸ KIF20A O95235 1/20 0.48
▸ CLK1 P49759 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ MTNR1A P48039 1/20 0.48
▸ MTNR1B P49286 1/20 0.48
▸ HTR2A P28223 3/20 0.46
▸ CTNNB1 P35222 1/20 0.45
▸ WNT3A P56704 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL11791315 0.84 NR4A2 (0.52) NR4A2KIF20ACLK1DYRK1AMTNR1A
SCHEMBL11545107 0.82 MTNR1A (0.56) NR4A2KIF20ACLK1DYRK1AMTNR1A
SCHEMBL7359725 0.82 KDM4E (0.55) NR4A2KIF20ACLK1DYRK1AMTNR1A
SCHEMBL24995079 0.81 HTR2A (0.51) NR4A2KIF20ACLK1DYRK1AMTNR1A
SCHEMBL5329797 0.81 NR4A2 (0.68) NR4A2KIF20ACLK1DYRK1AMTNR1A
SCHEMBL5102654 0.81 HTR2A (0.52) NR4A2KIF20ACLK1DYRK1AMTNR1A
SCHEMBL17321397 0.78 MTNR1A (0.52) NR4A2KIF20ACLK1DYRK1AMTNR1A
SCHEMBL19997209 0.78 CTNNB1 (0.52) NR4A2KIF20ACLK1DYRK1AMTNR1A
SCHEMBL6031099 0.78 MTNR1A (0.52) NR4A2KIF20ACLK1DYRK1AMTNR1A
SCHEMBL28373289 0.78 NR4A2 (0.47) NR4A2KIF20ACLK1DYRK1AMTNR1A

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
US-6096887-A USEFUL IN THE DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND FOR ENHANCEMENT OF MEMORY. NEUROGEN CORPORATION (US) 2000-08-01 — — US disclosed
US-5925770-A GAMMA-AMINOBUTYRIC ACID DERIVATIVES FOR DIAGNOSIS OR TREATMENT OF ANXIETY, SLEEP DISORDERS, SEIZURES, OVERDOSES OF BENZODIAZEPINE TYPE DRUGS, COGNITION ACTIVATORS NEUROGEN CORPORATION (US) 1999-07-20 — — US disclosed
EP-0725775-B1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 1998-07-22 — — EP disclosed
US-5750702-A Certain pyrrolo pyridine-3-carboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION (US) 1998-05-12 — — US disclosed
WO-1998002420-A9 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS — 1998-04-23 — — WO disclosed
US-5723462-A SLEEP AND SEIZURE DISORDERS; COGNITION ACTIVATORS, ANXIOLYTIC AGENTS NEUROGEN CORPORATION (US) 1998-03-03 — — US disclosed
EP-0825193-A1 Certain fused pyrrolecarboxanilides; a new class of gaba brain receptor ligands NEUROGEN CORPORATION (US) 1998-02-25 — — EP disclosed
WO-1998002420-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1998-01-22 — — WO disclosed
US-5608079-A MEMORY ENHANCEMENT IN BRAINS NEUROGEN CORPORATION (US) 1997-03-04 — — US disclosed
EP-0725775-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1996-08-14 — — EP disclosed
US-5484944-A ANXIETY, SLEEP, MEMORY NEUROGEN CORPORATION (US) 1996-01-16 — — US disclosed
WO-1995011885-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1995-05-04 — — WO disclosed
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