SCHEMBL8949345

SCHEMBL8949345

c1ccc(Oc2ccc(CNCCCn3ccnc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.68
QPCT Q16769 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
VEGFA P15692 1/20 0.52
EGLN1 Q9GZT9 1/20 0.52
LTA4H P09960 1/20 0.50
TBXAS1 P24557 1/20 0.50
AKT1 P31749 1/20 0.49
AKT2 P31751 1/20 0.49
SCN9A Q15858 1/20 0.49

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
SCHEMBL2475754 0.88 QPCT (0.67) QPCTSMN1; SMN2VEGFAEGLN1TBXAS1
SCHEMBL3181153 0.87 SMN1; SMN2 (0.57) QPCTSMN1; SMN2VEGFAEGLN1TBXAS1
SCHEMBL14416015 0.85 MEN1 (0.61) QPCT
SCHEMBL14416010 0.81 SMN1; SMN2 (0.56) QPCTSMN1; SMN2VEGFAEGLN1TBXAS1
SCHEMBL14416017 0.81 CYP19A1 (0.60) QPCTSMN1; SMN2VEGFAEGLN1AKT1
Hydrochloric Acid SCHEMBL8949368 0.81 NOS1 (0.48) CACNA1BQPCTSMN1; SMN2
SCHEMBL8443968 0.80 HMOX1 (0.65) QPCTSMN1; SMN2VEGFAEGLN1
SCHEMBL14416009 0.80 CYP19A1 (0.67) CACNA1BQPCTSMN1; SMN2
SCHEMBL6571544 0.80 CYP1A2 (0.61) QPCTSMN1; SMN2
SCHEMBL6638645 0.80 QPCT (0.59) QPCTSMN1; SMN2VEGFAEGLN1LTA4H

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