SCHEMBL8444483

SCHEMBL8444483

CCC(CC)(NC(=O)CCn1ccnc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL8443495 0.88 CYP11B1 (0.49) SMN1; SMN2LMNA
SCHEMBL8444481 0.86 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8446915 0.79 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8447429 0.78 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8444531 0.77 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8447407 0.77 QPCT (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7877317 0.76 PKM (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8445789 0.76 QPCT (0.51) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8949380 0.75 ALDH1A1 (0.46) SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL9368761 0.74 TP53 (0.42) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP disclosed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed