SCHEMBL7836093

SCHEMBL7836093

O=C1CCc2c1cccc2C(=O)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX12 P18054 1/20 0.57
CHRNB2 P17787 1/20 0.57
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA4 P43681 1/20 0.57
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 3/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
METAP2 P50579 1/20 0.49
MAPK14 Q16539 1/20 0.48

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
SCHEMBL31032281 0.78 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL569778 0.78 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL7844879 0.78 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1017795 0.77 CYP3A4 (0.89) CYP3A4CYP2C9ALOX12CHRNB2CHRNB4
SCHEMBL6628576 0.77 CYP2C9 (0.56) CYP3A4CYP2C9ALOX12CHRNB2CHRNB4
SCHEMBL11131477 0.77 AKR1C3 (0.50) CYP2C9ALDH1A1MEN1KMT2AHTT
SCHEMBL437231 0.75 ALDH1A1 (0.87) CYP3A4CYP2C9ALOX12CHRNB2CHRNB4
SCHEMBL11266257 0.73 ALDH1A1 (0.83) CYP3A4CYP2C9ALOX12CHRNB2CHRNB4
SCHEMBL11266259 0.73 ALDH1A1 (0.83) CYP3A4CYP2C9ALOX12CHRNB2CHRNB4
SCHEMBL678581 0.73 MAPT (0.65) ALDH1A1MEN1KMT2AHTTLMNA

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
EP-0820455-B1 5H, 10H-IMIDAZO [1,2-a]INDENO [1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES AVENTIS PHARMA SA (FR) 2001-10-31 EP disclosed
US-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed
US-5902803-A 5H,10H-imidazo 1,2-a!indeno 1,2-e!pyrazin-4-one derivatives, preparation thereof, and drugs containing said derivatives RHONE-POULENC RORER S.A. (FR) 1999-05-11 US disclosed
EP-0820455-A1 5H, 10H-IMIDAZO [1,2-a]INDENO [1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES Aventis Pharma S.A. (FR) 1998-01-28 EP disclosed
WO-1996031511-A1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZIN-4-ONE DERIVATIVES, PREPARATION THEREOF, AND DRUGS CONTAINING SAID DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1996-10-10 WO disclosed