SCHEMBL9567995

SCHEMBL9567995

CN(CC1CCc2ccccc2C1)C(=O)CN(Cc1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.40
MAPK1 P28482 1/20 0.39
GHSR Q92847 1/20 0.39
HTR1A P08908 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.37
USP30 Q70CQ3 1/20 0.36
CYP19A1 P11511 1/20 0.36
PREP P48147 2/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL9047644 0.85 PTGIR (0.36) MAPK1NPC1RAB9AALDH1A1POLB
SCHEMBL9568088 0.85 OPRM1 (0.40) MCHR1GHSRHTR1ASIGMAR1TSHR
SCHEMBL8858485 0.83 PTGIR (0.57)
SCHEMBL9568175 0.80 OPRM1 (0.39) GHSRHTR1ASIGMAR1TSHRCYP19A1
SCHEMBL9568016 0.75 TACR1 (0.44) MCHR1USP30
SCHEMBL9050455 0.72 DRD2 (0.39) TSHR
SCHEMBL11243114 0.71 TSHR (0.53) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL9050993 0.70 PTGIR (0.39) MCHR1
SCHEMBL1950916 0.69 MCHR1 (0.50) MCHR1HTR1ASIGMAR1CYP19A1
SCHEMBL2840174 0.69 MEN1 (0.50) SIGMAR1ALDH1A1TSHR

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-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed