SCHEMBL6039445

SCHEMBL6039445

O=C(NC1CCNCC1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.64
ADRB2 P07550 1/20 0.59
APLNR P35414 1/20 0.59
GLP1R P43220 1/20 0.59
FFAR4 Q5NUL3 1/20 0.59
GPR119 Q8TDV5 1/20 0.59
HTR4 Q13639 1/20 0.41
SMO Q99835 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
EPHX2 P34913 1/20 0.36
POLB P06746 1/20 0.35
USP30 Q70CQ3 3/20 0.35
TPSAB1 Q15661 1/20 0.35
DPP7 Q9UHL4 1/20 0.34

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
Hydrochloric Acid SCHEMBL2862015 0.99 NPSR1 (0.63) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2865254 0.88 NPSR1 (0.64) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2861923 0.85 NPSR1 (0.61) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2861556 0.84 NPSR1 (0.61) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2865785 0.83 NPSR1 (0.58) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2870919 0.83 NPSR1 (0.63) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2868953 0.82 NPSR1 (0.57) NPSR1ADRB2APLNRGLP1RFFAR4
SCHEMBL2861708 0.82 NPSR1 (0.72) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2868925 0.81 NPSR1 (0.60) NPSR1ADRB2APLNRGLP1RFFAR4
Hydrochloric Acid SCHEMBL2858769 0.81 NPSR1 (0.57) NPSR1ADRB2APLNRGLP1RFFAR4

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-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 EP disclosed