SCHEMBL8445910

SCHEMBL8445910

CC(C)(NCCCn1ccnc1)c1ccc(CCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
TBXAS1 P24557 2/20 0.46
HMOX1 P09601 1/20 0.46
QPCT Q16769 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9271417 0.93 HMOX1 (0.50) CYP19A1TBXAS1HMOX1QPCTMEN1
SCHEMBL7868767 0.88 CYP19A1 (0.47) CYP19A1TBXAS1HMOX1QPCTMEN1
SCHEMBL7879569 0.85 QPCT (0.49) QPCTMEN1KMT2APOLBNPC1
SCHEMBL8949449 0.84 ALDH1A1 (0.56) CYP19A1QPCTMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL8949432 0.83 ALDH1A1 (0.55) CYP19A1QPCTMEN1KMT2APOLB
SCHEMBL8443962 0.83 LMNA (0.56) QPCTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL7877319 0.82 QPCT (0.44) QPCTMEN1KMT2APOLBNPC1
SCHEMBL13696720 0.82 CYP11B1 (0.55) CYP19A1QPCTSMN1; SMN2
SCHEMBL7873773 0.82 SMN1; SMN2 (0.49) QPCTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL7876935 0.82 SMN1; SMN2 (0.56) CYP19A1MEN1KMT2APOLBNPC1

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 2 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
WO-1995022327-A1 USE OF 1-(ARYLALKYLAMINOALKYL) IMIDAZOLES FOR TREATING NEUROLOGICAL DAMAGE KNOLL AG (DE) 1995-08-24 WO disclosed