SCHEMBL5773747

SCHEMBL5773747

Cc1nc(C2CCNCC2)c2sc(-c3ccccc3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.51
PRKCI P41743 2/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
KIT P10721 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
CNR2 P34972 1/20 0.38
TP53 P04637 1/20 0.38
SOS1 Q07889 1/20 0.38
MAPT P10636 1/20 0.38
HTR2C P28335 3/20 0.37
HTR1A P08908 1/20 0.37
IKBKB O14920 1/20 0.36
CDC7 O00311 1/20 0.36

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
Hydrochloric Acid SCHEMBL5774370 0.99 NPY5R (0.50) NPY5RPRKCINPC1RAB9ASMN1; SMN2
SCHEMBL5772338 0.88 KCNH2 (0.42) NPY5RPRKCIRAB9AKITKCNH2
SCHEMBL5771159 0.88 RAB9A (0.42) NPY5RPRKCINPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5773821 0.87 RAB9A (0.44) NPY5RPRKCINPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5773172 0.86 KCNH2 (0.41) NPY5RPRKCIRAB9AKITKCNH2
SCHEMBL5776584 0.77 NPY5R (0.47) NPY5RPRKCINPC1RAB9ASMN1; SMN2
SCHEMBL5773890 0.76 CHRM4 (0.38) NPY5RPRKCINPC1RAB9AKIT
Hydrochloric Acid SCHEMBL5771348 0.75 NPY5R (0.46) NPY5RPRKCINPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7188454 0.75 CHRM4 (0.37) NPY5RNPC1RAB9AKITMEN1
SCHEMBL5775698 0.73 NPY5R (0.51) NPY5RMEN1KMT2ASOS1HTR2C

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
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP claimed
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed