SCHEMBL19835985

SCHEMBL19835985

COc1cccc2c1C[C@@H](C[C@H](C)O)CC2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.56
MTNR1B P49286 6/20 0.56
CHRM2 P08172 3/20 0.55
CHRM1 P11229 3/20 0.55
CHRM3 P20309 3/20 0.55
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
HTR1A P08908 1/20 0.51
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL19836008 0.84 PTGIR (0.52) MTNR1AMTNR1B
SCHEMBL8132467 0.82 CHRM2 (0.60) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL8970384 0.80 CHRM2 (0.60) MTNR1AMTNR1BCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9688982 0.78 CHRM2 (0.59) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL12635378 0.78 CHRM2 (0.62) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL12634890 0.77 CHRM2 (0.60) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL19969492 0.77 CYP19A1 (0.58) CHRM2CHRM1CHRM3HTR1A
SCHEMBL12671717 0.76 CHRM2 (0.67) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL8890686 0.74 MTNR1A (0.66) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL472446 0.74 CHRM2 (0.67) MTNR1AMTNR1BCHRM2CHRM1CHRM3

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-2928858-B1 METHODS OF SYNTHESIZING A PROSTACYCLIN ANALOG CAYMAN CHEMICAL CO INC (US) 2018-01-31 EP disclosed