SCHEMBL7057397

SCHEMBL7057397

Cc1cc(C(=O)Nc2cccc([C@]3(N4CCN(c5ccccc5)CC4)CC[C@H](C)CC3)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.52
ACKR3 P25106 3/20 0.44
RAB9A P51151 2/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
MAPT P10636 4/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 3/20 0.40
POLB P06746 2/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 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
SCHEMBL7055411 1.00 NPY1R (0.52) NPY1RACKR3RAB9APSEN1PSEN2
SCHEMBL7055946 0.90 NPY1R (0.53) NPY1RRAB9AMAPTNPC1GAA
SCHEMBL7055950 0.90 NPY1R (0.53) NPY1RRAB9AMAPTNPC1GAA
SCHEMBL7055965 0.88 NPY1R (0.57) NPY1RRAB9AMAPTNPC1GAA
SCHEMBL7055961 0.88 NPY1R (0.57) NPY1RRAB9AMAPTNPC1GAA
SCHEMBL7054288 0.87 NPY1R (0.51) NPY1RACKR3RAB9AMAPTNPC1
SCHEMBL7051385 0.86 NPY1R (0.55) NPY1RRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL7051383 0.86 NPY1R (0.55) NPY1RRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL7050030 0.85 SMN1; SMN2 (0.59) NPY1RRAB9AMAPTNPC1GAA
SCHEMBL7050027 0.85 SMN1; SMN2 (0.59) NPY1RRAB9AMAPTNPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316617-B1 FOR TREATING PHYSIOLOGICAL DISORDERS ASSOCIATED WITH AN EXCESS OF NEUROPEPTIDE Y, SUCH AS FEEDING DISORDERS AND CERTAIN CARDIOVASCULAR DISEASES, MEDICAL DIAGNOSIS NEUROGEN CORPORATION 2001-11-13 US claimed
EP-0918761-B1 CERTAIN AMIDO- AND AMINO-SUBSTITUTED BENZYLAMINE DERIVATIVES; A NEW CLASS OF NEUROPEPTITE Y1 SPECIFIC LIGANDS NEUROGEN CORP (US) 2003-05-02 EP disclosed
US-6316617-B1 FOR TREATING PHYSIOLOGICAL DISORDERS ASSOCIATED WITH AN EXCESS OF NEUROPEPTIDE Y, SUCH AS FEEDING DISORDERS AND CERTAIN CARDIOVASCULAR DISEASES, MEDICAL DIAGNOSIS NEUROGEN CORPORATION 2001-11-13 US disclosed
US-6133265-A Certain amido- and amino- substituted benzylamine derivatives; a new class of neuropeptide Y1 specific ligands NEUROGEN CORPORATION (US) 2000-10-17 US disclosed