SCHEMBL8960183

SCHEMBL8960183

C=C=C1OCc2cc(CCC)ccc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 16/20 0.40
KCNH2 Q12809 14/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL8959964 0.91 KCNJ1 (0.39) KCNJ1KCNH2HTR2CHTR2A
SCHEMBL8960097 0.90 GPR3 (0.39) KCNJ1KCNH2HTR2CHTR2A
SCHEMBL8960004 0.89 GPR3 (0.41) KCNJ1KCNH2HTR2CHTR2A
SCHEMBL8959786 0.89 GPR3 (0.41) KCNJ1KCNH2HTR2CHTR2A
SCHEMBL8959979 0.89 GPR3 (0.41) KCNJ1KCNH2HTR2CHTR2A
SCHEMBL8959913 0.89 GPR3 (0.41) KCNJ1KCNH2HTR2CHTR2A
SCHEMBL8960101 0.89 GPR3 (0.41) KCNJ1KCNH2HTR2CHTR2A
SCHEMBL8960023 0.89 GPR3 (0.41) KCNJ1KCNH2HTR2CHTR2A
SCHEMBL8960053 0.88 KCNJ1 (0.36) KCNJ1KCNH2HTR2CHTR2BHTR2A
SCHEMBL8960052 0.78 ALDH1A1 (0.31)

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-5510456-A Bridged cyclic arleneethylene polymers SHOWA DENKO K. K. (JP) 1996-04-23 US disclosed