SCHEMBL3575345

SCHEMBL3575345

COC1CC(CNC(=O)C(F)(F)F)C(OC)O1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ EPHX1 P07099 1/20 0.31

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
SCHEMBL10477570 0.82 NQO2 (0.33) NQO2MTNR1AMTNR1BALDH1A1POLB
SCHEMBL10477578 0.82 NQO2 (0.33) NQO2MTNR1AMTNR1BALDH1A1POLB
SCHEMBL8612926 0.82 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL8622439 0.74 TRPM8 (0.32) —
SCHEMBL7407325 0.72 LGALS8 (0.34) —
SCHEMBL6438566 0.69 MGAM (0.30) —
SCHEMBL10477571 0.69 — —
SCHEMBL9404716 0.68 NLRP3 (0.34) —
SCHEMBL3146279 0.67 NQO2 (0.36) NQO2MTNR1AMTNR1BALDH1A1POLB
SCHEMBL27558257 0.67 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391457-B1 Substituted 2-Phenylbenzimidazoles and their use as PARP inhibitors ABBVIE DEUTSCHLAND (DE) 2013-12-25 — — EP disclosed
US-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 — — US disclosed
EP-1127052-B1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE ABBOTT GMBH & CO KG (DE) 2004-12-08 — — EP disclosed
EP-1391457-A1 Substituted 2-Phenylbenzimidazoles and their use as PARP inhibitors Abbott GmbH & Co. KG (DE) 2004-02-25 — — EP disclosed
US-6277850-B1 EFFICIENCY, BIOCOMPATIBILITY, TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES 2001-08-21 — — US disclosed
EP-0906306-A1 PYRROLYL QUINOXALINDIONES, THEIR PRODUCTION AND USE AS AMPA RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 — — EP disclosed
US-5849744-A Pyrrolyl tetrahydrobenzoquinoxaline diones, their preparation and use as glutamate receptor antagonist BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 — — US disclosed
US-5849743-A Quinoxalines and drugs prepared therefrom BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 — — US disclosed
US-5773439-A Amido-quinoxalinediones, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1998-06-30 — — US disclosed
WO-1997049701-A1 PYRROLYL QUINOXALINDIONES, THEIR PRODUCTION AND USE AS AMPA RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1997-12-31 — — WO disclosed
CN-1152918-A Novel amido quinoxaline diones, their preparation and use BASF AG (DE) 1997-06-25 — — CN disclosed
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