SCHEMBL7054055

SCHEMBL7054055

C[C@H]1CC[C@](c2cccc(NC(=O)c3ccc(F)c(Cl)c3)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.49
MALT1 Q9UDY8 1/20 0.48
BTK Q06187 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 7/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC2A1 P11166 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7054056 1.00 NPY1R (0.49) NPY1RMALT1BTKKDM4EHTT
SCHEMBL7057347 0.92 NPY1R (0.52) NPY1RKDM4EHTTPOLBMAPT
SCHEMBL7057346 0.92 NPY1R (0.52) NPY1RKDM4EHTTPOLBMAPT
SCHEMBL7054699 0.91 NPY1R (0.53) NPY1RBTKKDM4EHTTPOLB
SCHEMBL7054695 0.91 NPY1R (0.53) NPY1RBTKKDM4EHTTPOLB
SCHEMBL7054631 0.90 TDP1 (0.53) NPY1RKDM4EHTTPOLBMAPT
SCHEMBL7054632 0.90 TDP1 (0.53) NPY1RKDM4EHTTPOLBMAPT
SCHEMBL7049983 0.89 NPY1R (0.53) NPY1RKDM4EHTTPOLBMAPT
SCHEMBL7049987 0.89 NPY1R (0.53) NPY1RKDM4EHTTPOLBMAPT
SCHEMBL7051912 0.88 NPY1R (0.52) NPY1RBTKKDM4EHTTPOLB

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