SCHEMBL11240478

SCHEMBL11240478

Cc1cccc(CC2(Cn3ccnc3)OCCCO2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.55
CYP11B2 P19099 2/20 0.55
HMOX1 P09601 3/20 0.46
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL11244436 0.95 CYP11B1 (0.58) CYP11B1CYP11B2HMOX1KMT2ACYP1A2
SCHEMBL11250794 0.89 CYP11B1 (0.53) CYP11B1CYP11B2HMOX1KMT2ACYP1A2
SCHEMBL11246512 0.89 HMOX1 (0.58) CYP11B1CYP11B2HMOX1
SCHEMBL11246782 0.88 CYP11B1 (0.51) CYP11B1CYP11B2HMOX1
SCHEMBL11242420 0.87 CYP11B1 (0.54) CYP11B1CYP11B2HMOX1KMT2ACYP1A2
SCHEMBL11248299 0.85 HMOX1 (0.53) CYP11B1CYP11B2HMOX1
SCHEMBL11239983 0.85 HMOX1 (0.44) CYP11B1CYP11B2HMOX1IDO1
SCHEMBL11248555 0.85 CYP11B1 (0.52) CYP11B1CYP11B2HMOX1KMT2ACYP1A2
SCHEMBL11240247 0.85 HMOX1 (0.52) CYP11B1CYP11B2HMOX1CYP1A2CYP3A4
Bromide SCHEMBL11237225 0.84 HMOX1 (0.52) CYP11B1CYP11B2HMOX1

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-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed