SCHEMBL9020770

SCHEMBL9020770

CC(CNCCCn1ccnc1)c1ccc(CCCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
HMOX1 P09601 1/20 0.48
CYP19A1 P11511 1/20 0.46
TBXAS1 P24557 2/20 0.46
QPCT Q16769 3/20 0.45
ORAI1 Q96D31 1/20 0.43
POLB P06746 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
SCHEMBL9020694 0.84 QPCT (0.50) LMNACYP19A1QPCTPOLB
SCHEMBL9021127 0.80 LMNA (0.52) LMNAQPCTPOLB
SCHEMBL9020953 0.79 ALDH1A1 (0.54) LMNACYP19A1TBXAS1QPCTPOLB
SCHEMBL9021061 0.79 LMNA (0.44) LMNAQPCTPOLB
SCHEMBL9020919 0.77 ALDH1A1 (0.50) LMNACYP19A1TBXAS1POLB
SCHEMBL9020799 0.76 LMNA (0.42) LMNACYP19A1TBXAS1QPCTPOLB
SCHEMBL9271417 0.76 HMOX1 (0.50) HMOX1CYP19A1TBXAS1QPCTPOLB
SCHEMBL9020697 0.76 ALDH1A1 (0.52) LMNACYP19A1TBXAS1POLB
SCHEMBL8648375 0.73 QPCT (0.53) LMNATBXAS1QPCTPOLB
SCHEMBL14819376 0.73 QPCT (0.55) LMNATBXAS1QPCTPOLB

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-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed