SCHEMBL9313403

SCHEMBL9313403

CCCC=C[C@H]1CC[C@H](c2cnc(-c3ccc(Cl)c(F)c3)nc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
DHODH Q02127 1/20 0.33
ACACB O00763 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
KCNH2 Q12809 1/20 0.31
CYP1A2 P05177 1/20 0.31
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
KDM4C Q9H3R0 1/20 0.31
P2RX7 Q99572 3/20 0.31
RPS6KB1 P23443 1/20 0.31
AKT1 P31749 1/20 0.31
SLC5A2 P31639 1/20 0.30

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
SCHEMBL9718521 1.00 CYP11B1 (0.35) CYP11B1CYP11B2DHODHACACBGPR139
SCHEMBL9313402 1.00 CYP11B1 (0.35) CYP11B1CYP11B2DHODHACACBGPR139
SCHEMBL8381945 0.91 CHRNB1 (0.34) CYP11B1CYP11B2DHODHACACBKCNH2
SCHEMBL8381946 0.91 CHRNB1 (0.34) CYP11B1CYP11B2DHODHACACBKCNH2
SCHEMBL9313058 0.91 CHRNB1 (0.34) CYP11B1CYP11B2DHODHACACBKCNH2
SCHEMBL8383724 0.91 CYP11B1 (0.36) CYP11B1CYP11B2DHODHACACBGPR139
SCHEMBL9313556 0.91 CYP11B1 (0.36) CYP11B1CYP11B2DHODHACACBGPR139
SCHEMBL9718529 0.90 MAPK10 (0.33) CYP11B1CYP11B2RXRAGRIN1GRIN2B
SCHEMBL9312596 0.90 MAPK10 (0.33) CYP11B1CYP11B2RXRAGRIN1GRIN2B
SCHEMBL9312602 0.90 MAPK10 (0.33) CYP11B1CYP11B2RXRAGRIN1GRIN2B

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
US-5292452-A Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed