SCHEMBL8949381

SCHEMBL8949381

CC(NCCCn1ccnc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.55
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
QPCT Q16769 4/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HMOX1 P09601 1/20 0.45
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8444353 0.89 POLB (0.56) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8444551 0.86 CYP19A1 (0.57) POLBLMNAQPCTMEN1KMT2A
SCHEMBL8949474 0.85 LMNA (0.47) NOS1POLBLMNAQPCTL3MBTL1
SCHEMBL8443891 0.84 HMOX1 (0.53) NOS1POLBLMNAQPCTHMOX1
SCHEMBL8445916 0.84 QPCT (0.54) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8445855 0.82 QPCT (0.57) POLBLMNAQPCT
Hydrochloric Acid SCHEMBL8444444 0.82 QPCT (0.53) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8443077 0.82 ALOX15 (0.46) POLBLMNAQPCTSMN1; SMN2L3MBTL1
SCHEMBL8447325 0.81 QPCT (0.58) POLBLMNAQPCTNPC1SMN1; SMN2
SCHEMBL8443995 0.80 TP53 (0.52) POLBCYP1A2CYP3A4CYP2D6CYP2C9

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
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US claimed
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