SCHEMBL7050504

SCHEMBL7050504

C[C@H]1CC[C@](c2cccc(NC(=O)c3cccc4ccccc34)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.52
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
HIF1A Q16665 1/20 0.45
MITF O75030 1/20 0.44
ACKR3 P25106 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CNR1 P21554 1/20 0.40
POLB P06746 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
HCRTR1 O43613 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7050500 1.00 NPY1R (0.52) NPY1RMEN1KMT2AALDH1A1KDM4E
SCHEMBL7050382 0.88 NPY1R (0.53) NPY1RMEN1KMT2AALDH1A1NPC1
SCHEMBL7054509 0.88 NPY1R (0.53) NPY1RMEN1KMT2AALDH1A1KDM4E
SCHEMBL7054507 0.88 NPY1R (0.53) NPY1RMEN1KMT2AALDH1A1KDM4E
SCHEMBL7050379 0.88 NPY1R (0.53) NPY1RMEN1KMT2AALDH1A1NPC1
SCHEMBL7051053 0.87 NPY1R (0.51) NPY1RALDH1A1KDM4EHIF1AMAPT
SCHEMBL7051050 0.87 NPY1R (0.51) NPY1RALDH1A1KDM4EHIF1AMAPT
SCHEMBL7054060 0.87 NPY1R (0.50) NPY1RMEN1KMT2AACKR3NPC1
SCHEMBL7054059 0.87 NPY1R (0.50) NPY1RMEN1KMT2AACKR3NPC1
SCHEMBL7055965 0.87 NPY1R (0.57) NPY1RMEN1KMT2AKDM4ENPC1

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