SCHEMBL8949474

SCHEMBL8949474

CC(NCCCn1ccnc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
POLB P06746 2/20 0.47
NOS1 P29475 3/20 0.46
QPCT Q16769 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL8949381 0.85 NOS1 (0.55) LMNAPOLBNOS1QPCTKMT2A
SCHEMBL8444551 0.83 CYP19A1 (0.57) LMNAPOLBQPCTKMT2AMEN1
SCHEMBL8446799 0.83 SMN1; SMN2 (0.59) LMNAPOLBNOS1QPCTKMT2A
SCHEMBL8949501 0.83 POLB (0.55) LMNAPOLBQPCT
SCHEMBL8445855 0.82 QPCT (0.57) LMNAPOLBQPCT
SCHEMBL8444353 0.81 POLB (0.56) LMNAPOLBQPCTKMT2AMEN1
SCHEMBL8445916 0.81 QPCT (0.54) LMNAPOLBQPCTALDH1A1
SCHEMBL8443891 0.81 HMOX1 (0.53) LMNAPOLBNOS1QPCTALDH1A1
Hydrochloric Acid SCHEMBL8444444 0.80 QPCT (0.53) LMNAPOLBQPCTALDH1A1
SCHEMBL8445803 0.79 QPCT (0.61) POLBQPCTKMT2AALDH1A1MAPT

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