SCHEMBL5543796

SCHEMBL5543796

CC1(O)CCC(N2CCC(Cc3ccc(-c4ccc(CO)cc4)cc3Cl)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.37
ACVRL1 P37023 4/20 0.36
ACVR1 Q04771 4/20 0.36
BMPR1A P36894 3/20 0.36
BMPR1B O00238 2/20 0.36
TGFBR1 P36897 2/20 0.36
USP7 Q93009 5/20 0.34
ROCK2 O75116 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
CHKA P35790 1/20 0.33
P2RX7 Q99572 3/20 0.32
HTR2A P28223 1/20 0.31
GRM2 Q14416 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
SCHEMBL13674535 1.00 HSD11B1 (0.37) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL13674534 0.92 HSD11B1 (0.40) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL4517259 0.92 HSD11B1 (0.40) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL4528144 0.91 ACVRL1 (0.38) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL13674541 0.91 ACVRL1 (0.38) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL13675550 0.91 HSD11B1 (0.36) HSD11B1USP7ROCK2CHKAP2RX7
SCHEMBL13674533 0.88 ACVRL1 (0.36) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL4518204 0.88 ACVRL1 (0.38) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL4516016 0.88 ACVRL1 (0.36) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B
SCHEMBL13674537 0.88 ACVRL1 (0.38) HSD11B1ACVRL1ACVR1BMPR1ABMPR1B

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-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed