SCHEMBL7054699

SCHEMBL7054699

C[C@H]1CC[C@](c2cccc(NC(=O)c3ccc(Cl)cc3)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.53
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 4/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 4/20 0.44
TDP1 Q9NUW8 1/20 0.43
ACKR3 P25106 3/20 0.43
BTK Q06187 1/20 0.43
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 1/20 0.42
FLT3 P36888 1/20 0.42
FSHR P23945 1/20 0.41
NPC1 O15118 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
SCHEMBL7054695 1.00 NPY1R (0.53) NPY1RKDM4EPOLBHTTMAPT
SCHEMBL7055965 0.93 NPY1R (0.57) NPY1RKDM4EPOLBHTTMAPT
SCHEMBL7055961 0.93 NPY1R (0.57) NPY1RKDM4EPOLBHTTMAPT
SCHEMBL7054632 0.92 TDP1 (0.53) NPY1RKDM4EPOLBHTTMAPT
SCHEMBL7054631 0.92 TDP1 (0.53) NPY1RKDM4EPOLBHTTMAPT
SCHEMBL7055533 0.91 NPY1R (0.53) NPY1RKDM4EPOLBHTTMAPT
SCHEMBL7049987 0.91 NPY1R (0.53) NPY1RKDM4EPOLBHTTMAPT
SCHEMBL7055531 0.91 NPY1R (0.53) NPY1RKDM4EPOLBHTTMAPT
SCHEMBL7049983 0.91 NPY1R (0.53) NPY1RKDM4EPOLBHTTMAPT
SCHEMBL7054055 0.91 NPY1R (0.49) NPY1RKDM4EPOLBHTTMAPT

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