SCHEMBL7714890

SCHEMBL7714890

CC1CCc2ccccc2C=C1C(=O)NC=NN

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL7712801 0.82 MEN1 (0.30)
SCHEMBL7716876 0.82 PTGS2 (0.31)
SCHEMBL7708561 0.82 MAOA (0.34) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL7712666 0.80 MAOA (0.33) MTNR1AMTNR1B
SCHEMBL7708957 0.80 TAS1R3 (0.31) TAS1R3TAS1R1TAS1R2
SCHEMBL7708905 0.79 TAS1R3 (0.31) TAS1R3TAS1R1TAS1R2RAB9A
SCHEMBL7714886 0.78 MTNR1A (0.33) CYP19A1CYP11B1CYP11B2MTNR1AMTNR1B
SCHEMBL7709008 0.77 GPR84 (0.36) CYP19A1CYP11B1CYP11B2SMN1; SMN2KDM1A
SCHEMBL7712802 0.76 MAOA (0.34) MTNR1AMTNR1BTAS1R3TAS1R1TAS1R2
SCHEMBL7714808 0.75 GPR183 (0.35) CYP19A1CYP11B1CYP11B2KDM1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US claimed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP claimed
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed