SCHEMBL742271

SCHEMBL742271

COCCCn1c(C2(O)CCCNC2)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.44
TSHR P16473 3/20 0.43
TP53 P04637 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
CXCR5 P32302 1/20 0.40
OPRM1 P35372 1/20 0.40
APLNR P35414 1/20 0.40
OPRD1 P41143 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
CHRM1 P11229 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL741464 0.76 PIM1 (0.32) REN
SCHEMBL742529 0.75 CNR2 (0.40) RENTSHRTP53LMNAHTT
SCHEMBL7958499 0.72 KDM4E (0.52) TSHRLMNASMN1; SMN2KMT2ARAB9A
SCHEMBL8313701 0.70 TSHR (0.54) TSHRTP53LMNAHTTSMN1; SMN2
SCHEMBL739842 0.70 HRH1 (0.70) RENOPRM1OPRD1CHRM1HRH1
SCHEMBL739843 0.70 HRH1 (0.70) RENOPRM1OPRD1CHRM1HRH1
SCHEMBL33107 0.69 REN (0.63) RENLMNA
Piperidine SCHEMBL742276 0.68 HRH1 (0.67) RENOPRM1OPRD1CHRM1HRH1
Hydrochloric Acid SCHEMBL2219604 0.68 REN (0.62) RENLMNA
Hydrochloric Acid SCHEMBL2217813 0.68 REN (0.62) RENLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed