SCHEMBL8445868

SCHEMBL8445868

CC(C)(NCCCCCCCCn1ccnc1)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 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
SMN1; SMN2 Q16637 1/20 0.48
TBXAS1 P24557 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
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
SCHEMBL8446124 1.00 ALDH1A1 (0.51) ALDH1A1TP53LMNACYP1A2CYP3A4
SCHEMBL8444094 0.99 TP53 (0.52) ALDH1A1TP53LMNACYP1A2CYP3A4
SCHEMBL8443962 0.95 LMNA (0.56) ALDH1A1TP53LMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL2887150 0.94 LMNA (0.55) ALDH1A1TP53LMNACYP1A2CYP3A4
SCHEMBL8949449 0.83 ALDH1A1 (0.56) ALDH1A1TP53LMNAQPCTSMN1; SMN2
Hydrochloric Acid SCHEMBL8949432 0.82 ALDH1A1 (0.55) ALDH1A1LMNAQPCTSMN1; SMN2MEN1
SCHEMBL7879569 0.82 QPCT (0.49) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
Citric Acid SCHEMBL8445980 0.82 LMNA (0.54) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13696720 0.82 CYP11B1 (0.55) ALDH1A1QPCTSMN1; SMN2
SCHEMBL7868660 0.80 SMN1; SMN2 (0.52) ALDH1A1LMNACYP1A2CYP3A4CYP2D6

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-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-1995022327-A1 USE OF 1-(ARYLALKYLAMINOALKYL) IMIDAZOLES FOR TREATING NEUROLOGICAL DAMAGE KNOLL AG (DE) 1995-08-24 WO 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