SCHEMBL7711634

SCHEMBL7711634

CC1(c2ccc(Cl)cc2)C(C#N)C(=O)NC(=O)C1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
HTR6 P50406 1/20 0.34
OPRM1 P35372 1/20 0.33
IDO1 P14902 1/20 0.33
MMP13 P45452 1/20 0.33
ELANE P08246 1/20 0.33
CNR1 P21554 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL7708734 0.85 MGAT2 (0.38) OPRM1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7711524 0.83 CYP19A1 (0.39) HTR6
SCHEMBL7711508 0.83 MGAT2 (0.36) HTR6IDO1CNR1HSD17B10MGAT2
SCHEMBL7712056 0.83 MMP2 (0.42) KMT2AHTR6CNR1ALDH1A1KDM4E
SCHEMBL7711516 0.83 MMP2 (0.39) ALDH1A1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL7711693 0.81 DDB1 (0.35) KMT2AMAPK1HTR6ALDH1A1KDM4E
SCHEMBL7711504 0.81 MMP2 (0.39) KMT2ACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL23089084 0.80 MAPK1 (0.33) MAPK1HTT
SCHEMBL23727765 0.80 PGR (0.40) KMT2AMAPK1ALDH1A1RECQLKDM4E
SCHEMBL7708697 0.80 ELANE (0.34) KMT2AMAPK1OPRM1ELANECNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365311-B1 THERMAL STABILITY; LOW COLOR; ABSENCE OF ENVIRONMENTALLY UNDESIRABLE TOXIC METALS; POLYETHERIFIED BISPHENOL A FUMARATE BINDER; POLYSILOXANE COATED STRONTIUM FERRITE CARRIER EASTMAN KODAK COMPANY 2002-04-02 US disclosed
US-5922716-A 5H-indeno 1,2-b!pyrazine-2,3-dione derivatives, their preparation and medicinal products containing them RHONE-POULENC RORER S.A. (FR) 1999-07-13 US disclosed
EP-0752988-B1 5H-INDENO[1,2-b]PYRAZINE-2,3-DIONE DERIVATIVES ANTAGONISTS OF AMPA AND NMDA RECEPTORS RHONE POULENC RORER SA (FR) 1999-05-26 EP disclosed
EP-0752988-A1 5H-INDENO[1,2-b]PYRAZINE-2,3-DIONE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-01-15 EP disclosed
WO-1995026342-A1 5H-INDENO[1,2-b]PYRAZINE-2,3-DIONE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1995-10-05 WO disclosed