SCHEMBL3669955

SCHEMBL3669955

Cc1nccn1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 2/20 0.59
CYP3A4 P08684 3/20 0.59
CYP2D6 P10635 2/20 0.59
PORCN Q9H237 1/20 0.59
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP2E1 P05181 1/20 0.56
CYP2A6 P11509 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
MGAM O43451 1/20 0.44

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
SCHEMBL30305324 0.92 ADH5 (0.66) ADH5CYP3A4CYP2D6PORCNMAOA
SCHEMBL2336960 0.88 CYP3A4 (0.69) ADH5CYP3A4CYP2D6PORCNMAOA
Hydrochloric Acid SCHEMBL27290504 0.86 CYP3A4 (0.67) ADH5CYP3A4CYP2D6PORCNMAOA
Ammonia Solution, Strong SCHEMBL28378980 0.86 CYP3A4 (0.67) ADH5CYP3A4CYP2D6PORCNMAOA
SCHEMBL30558759 0.86 ALDH1A1 (0.71) ADH5CYP3A4CYP2D6PORCNMAOA
SCHEMBL16364768 0.84 ADH5 (0.57) ADH5CYP3A4CYP2D6PORCNMAOA
SCHEMBL20254322 0.81 CYP3A4 (0.60) ADH5CYP3A4CYP2D6PORCNMAOA
SCHEMBL8268417 0.80 ALDH1A1 (0.65) ADH5CYP3A4CYP2D6PORCNMAOA
SCHEMBL17630186 0.80 ADH5 (0.54) ADH5CYP3A4CYP2D6PORCNALDH1A1
SCHEMBL2048531 0.77 ALDH1A1 (0.61) ADH5CYP3A4CYP2D6PORCNMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3946323-A1 PHARMACEUTICAL COMPOSITION FOR TOPICAL USE COMPRISING AT LEAST ONE AZOLATED LOCAL ANTIFUNGAL SUBSTANCE Société d'Exploitation de Produits pour les Industries Chimiques SEPPIC (FR) 2022-02-09 EP disclosed
WO-2020201378-A1 PHARMACEUTICAL COMPOSITION FOR TOPICAL USE COMPRISING AT LEAST ONE AZOLATED LOCAL ANTIFUNGAL SUBSTANCE SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2020-10-08 WO disclosed
EP-2162441-A2 1,(3,)5-SUBSTITUTED IMIDAZOLES, THEIR USE IN THE TREATMENT OF HYPERTENSION AND METHODS FOR THEIR PREPARATION Eldrug S.A. (GR) 2010-03-17 EP disclosed
WO-2008142576-A2 1,(3,)5-SUBSTITUTED IMIDAZOLES, THEIR USE IN THE TREATMENT OF HYPERTENSION AND METHODS FOR THEIR PREPARATION ELDRUG S.A. (GR) 2008-11-27 WO disclosed
US-5830909-A DIETETICS AMERICAN CYANAMID COMPANY (US) 1998-11-03 US disclosed
EP-0652869-A1 IMIDAZOLE ETHERS HAVING A II ANTAGONIST ACTIVITY. LUSO FARMACO INST (IT) 1995-05-17 EP disclosed
WO-1994002467-A1 IMIDAZOLE ETHERS HAVING A II ANTAGONIST ACTIVITY INSTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1994-02-03 WO disclosed