SCHEMBL8446138

SCHEMBL8446138

CCCNC(C)(C)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 2/20 0.33
ACHE P22303 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
PARP1 P09874 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
Hydrochloric Acid SCHEMBL8444370 0.98 TSHR (0.43) TSHRNPC1RAB9AMAPTL3MBTL1
SCHEMBL22430335 0.83 TSHR (0.48) TSHRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8350785 0.82 TSHR (0.43) TSHRNPC1RAB9AMAPTL3MBTL1
SCHEMBL7910319 0.82 NPSR1 (0.46) TSHRNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6891739 0.81 KCNN4 (0.48) L3MBTL1TDP1HTR1ACYP2D6SCN1A
SCHEMBL8029072 0.73 TSHR (0.52) TSHRNPC1RAB9AMAPTTDP1
SCHEMBL9906142 0.72 TSHR (0.57) TSHRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29657118 0.71 HPGD (0.42) NPC1RAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL10538653 0.71 ESR1 (0.52) TSHRL3MBTL1SMN1; SMN2HPGDACHE
SCHEMBL13786376 0.71 ATM (0.59) TSHRRAB9AMAPTL3MBTL1SMN1; SMN2

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 1 patent. 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