SCHEMBL8097942

SCHEMBL8097942

CC(c1c[nH]cn1)c1cccc(C#N)c1O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
HTR2B P41595 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 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
SCHEMBL8096496 0.81
Water SCHEMBL8097685 0.77 F2 (0.31) FAAHCA1CA2LMNACYP1A2
SCHEMBL9518132 0.77 GABRA1 (0.33) FAAHCA1CA2LMNACYP1A2
Water SCHEMBL9647014 0.76 PARP1 (0.37) HPGDTSHRALDH1A1
SCHEMBL8095474 0.76 F2 (0.32) FAAHCA1CA2LMNACYP1A2
SCHEMBL9647534 0.76 ALDH1A1 (0.41) FAAHCA1CA2LMNACYP1A2
Hydrochloric Acid SCHEMBL10404503 0.75 PARP1 (0.36) HPGDTSHRALDH1A1
SCHEMBL8101718 0.75 PARP1 (0.38) HPGDTSHRALDH1A1
SCHEMBL9128752 0.74 FAAH (0.30) FAAHCA1CA2LMNACYP1A2
Hydrochloric Acid SCHEMBL10402148 0.74 PARP1 (0.37) HPGDTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626372-B1 2-hydroxy-3-[1-(1H-imidazol-4-yl)alkyl]benzenecarboximid-amides for the treatment of glaucoma UCB SA (BE) 2000-12-20 EP disclosed
US-5385927-A Hydroxy-3-[1-(1H-imidazol-4-yl)alkyl]-benzenecarboximidamides and their use in treating glaucoma U C B, S.A. (BE) 1995-01-31 US disclosed
EP-0626372-A1 2-hydroxy-3- 1-(1H-imidazol-4-yl)alkyl benzenecarboximid-amides for the treatment of glaucoma U C B, S.A. (BE) 1994-11-30 EP disclosed
EP-0341231-B1 SUBSTITUTED 1-(1H-IMIDAZOL-4-YL)ALKYL BENZAMIDES U C B, S.A. (BE) 1992-11-19 EP disclosed
US-4923865-A Substituted 1-(1H-imidazol-4-yl)alkyl-benzamides as anti-ischemics and as alpha-2-adrenergic receptor agonists U C B SOCIETE ANONYME (BE) 1990-05-08 US disclosed
EP-0341231-A1 Substituted 1-(1H-imidazol-4-yl)alkyl benzamides U C B, S.A. (BE) 1989-11-08 EP disclosed