SCHEMBL7054840

SCHEMBL7054840

C[C@H]1CC[C@](c2cccc(NC(=O)C(=O)Cc3cccnc3)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.52
HTR1A P08908 7/20 0.51
DRD2 P14416 7/20 0.51
NPY1R P25929 2/20 0.51
THRB P10828 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
MCL1 Q07820 1/20 0.41
GPR132 Q9UNW8 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 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
SCHEMBL7052747 0.92 NPY1R (0.52) NAMPTHTR1ADRD2NPY1RNPC1
SCHEMBL7091275 0.87 HTR1A (0.54) NAMPTHTR1ADRD2NPY1RTHRB
Hydrochloric Acid SCHEMBL6990799 0.86 HTR1A (0.54) NAMPTHTR1ADRD2NPY1RTHRB
SCHEMBL7056417 0.86 NPY1R (0.54) NAMPTHTR1ADRD2NPY1RNPC1
SCHEMBL7050030 0.86 SMN1; SMN2 (0.59) NAMPTNPY1RNPC1RAB9AMAPT
SCHEMBL7050027 0.86 SMN1; SMN2 (0.59) NAMPTNPY1RNPC1RAB9AMAPT
SCHEMBL7057014 0.85 NPY1R (0.51) NAMPTHTR1ADRD2NPY1RNPC1
SCHEMBL7057017 0.85 NPY1R (0.51) NAMPTHTR1ADRD2NPY1RNPC1
SCHEMBL7058711 0.82 NPY1R (0.52) NPY1RMAPTSMN1; SMN2LMNAMAPK1
SCHEMBL8518845 0.82 NPY1R (0.52) HTR1ADRD2NPY1RMAPTSMN1; SMN2

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