SCHEMBL7963445

SCHEMBL7963445

Cn1c(COc2ccc(Cl)cc2Cl)c(CCN2CCCCC2)c2cc(Br)ccc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 6/20 0.64
CCR5 P51681 1/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
F8 P00451 1/20 0.39
F5 P12259 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7957272 0.87 NPY1R (0.70) NPY1RMAPTKMT2ASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL7957006 0.83 NPY1R (0.83) NPY1RMAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL7959266 0.80 NPY1R (0.63) NPY1RMAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL7963665 0.79 NPY1R (0.77) NPY1RMAPTSMN1; SMN2F8F5
SCHEMBL7959165 0.79 NPY1R (0.75) NPY1RKDM4ECYP1A2CYP2D6GAA
Hydrochloric Acid SCHEMBL7959693 0.77 NPY1R (0.98) NPY1RMAPTKMT2ASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL7957029 0.75 NPY1R (0.69) NPY1RCCR5GAA
SCHEMBL7959581 0.75 NPY1R (0.68) NPY1R
Hydrochloric Acid SCHEMBL7949199 0.74 NPY1R (0.59) NPY1RMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL7959923 0.72 NPY1R (1.00) NPY1R

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
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed