SCHEMBL8444572

SCHEMBL8444572

CC(NCCCCCn1ccnc1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
QPCT Q16769 1/20 0.49
TBXAS1 P24557 1/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8443995 0.99 TP53 (0.52) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL8445916 0.95 QPCT (0.54) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8444444 0.94 QPCT (0.53) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL8444476 0.83 KMT2A (0.56) ALDH1A1QPCTLMNAPOLBSMN1; SMN2
SCHEMBL9373597 0.83 ALDH1A1 (0.49) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL8444374 0.82 ALOX15 (0.55) QPCTLMNAPOLBSMN1; SMN2
SCHEMBL8444551 0.82 CYP19A1 (0.57) ALDH1A1TP53QPCTLMNAPOLB
SCHEMBL8443891 0.82 HMOX1 (0.53) ALDH1A1TP53QPCTLMNAPOLB
SCHEMBL8445855 0.81 QPCT (0.57) QPCTTBXAS1LMNAPOLB
SCHEMBL8446163 0.80 QPCT (0.52) ALDH1A1TP53CYP1A2CYP3A4CYP2D6

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-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP claimed
JP-2633087-B2 1997-07-23 JP claimed
WO-1995022327-A1 USE OF 1-(ARYLALKYLAMINOALKYL) IMIDAZOLES FOR TREATING NEUROLOGICAL DAMAGE KNOLL AG (DE) 1995-08-24 WO claimed
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 claimed
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
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