SCHEMBL172448

SCHEMBL172448

CCC(=O)N/C=C1\CCc2cnc3c(c21)CCO3

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 9/20 0.37
MTNR1A P48039 8/20 0.37
ABCB11 O95342 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
USP2 O75604 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL123166 0.84 MTNR1B (0.54) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL123165 0.84 MTNR1B (0.54) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL126190 0.70 MTNR1B (0.53) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL12424531 0.70 MTNR1A (0.48) MTNR1BMTNR1A
SCHEMBL124619 0.67 MTNR1B (0.69) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL2881136 0.63 MTNR1B (0.56) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL793401 0.63 MTNR1B (0.56) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL805922 0.63 MTNR1B (0.56) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL124497 0.61 MTNR1B (0.44) MTNR1BMTNR1AABCB11SIGMAR1USP2
SCHEMBL124498 0.61 MTNR1B (0.44) MTNR1BMTNR1AABCB11SIGMAR1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2100895-B1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-03-07 EP disclosed
EP-2100895-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-16 EP disclosed