SCHEMBL5772993

SCHEMBL5772993

C=C(c1ccc(-c2ccccc2)cc1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
MAPK1 P28482 1/20 0.62
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 3/20 0.49
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAAA Q02083 1/20 0.46
NCOA3 Q9Y6Q9 2/20 0.46
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 2/20 0.45
SLC6A7 Q99884 1/20 0.44
FASN P49327 1/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL1934947 0.88 HPGD (0.55) HPGDMAPK1MEN1KMT2ANPC1
SCHEMBL3731573 0.86 HPGD (0.59) HPGDMAPK1MEN1KMT2AALDH1A1
SCHEMBL7182897 0.85 HPGD (0.50) HPGDMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL19070281 0.82 HPGD (0.48) HPGDMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL2631503 0.78 HPGD (0.63) HPGDMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL6614562 0.77 HPGD (1.00) HPGDMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL4574011 0.76 SMN1; SMN2 (0.50) HPGDMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL22175120 0.76 ALDH1A1 (0.42) HPGDMEN1KMT2ANPSR1NPC1
SCHEMBL5949150 0.76 RAB9A (0.49) HPGDMEN1KMT2ASMN1; SMN2FAAH
SCHEMBL1942112 0.76 ALOX5 (0.51) HPGDMAPK1MEN1KMT2ATSHR

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 5 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 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
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed