SCHEMBL7054509

SCHEMBL7054509

C[C@H]1CC[C@](c2cccc(NC(=O)c3ccccc3F)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.53
MAPT P10636 7/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
TP53 P04637 3/20 0.47
MCL1 Q07820 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
BTK Q06187 2/20 0.44
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
F2R P25116 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7054507 1.00 NPY1R (0.53) NPY1RMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL7055959 0.92 NPY1R (0.52) NPY1RMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL7055962 0.92 NPY1R (0.52) NPY1RMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL7054358 0.90 NPY1R (0.51) NPY1RMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL7054360 0.90 NPY1R (0.51) NPY1RMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL7050379 0.89 NPY1R (0.53) NPY1RMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL7050382 0.89 NPY1R (0.53) NPY1RMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL7050500 0.88 NPY1R (0.52) NPY1RMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL7050504 0.88 NPY1R (0.52) NPY1RMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL7867423 0.88 NPY1R (0.49) NPY1RMAPTALDH1A1MEN1KMT2A

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