SCHEMBL5776748

SCHEMBL5776748

C=C(c1cc(Cl)cc(Cl)c1)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 2/20 0.46
SPR P35270 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 3/20 0.37
HSD11B1 P28845 1/20 0.37
TPMT P51580 1/20 0.37
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FKBP1A P62942 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4574011 0.79 SMN1; SMN2 (0.50) KMT2AMAPTNPSR1POLBSMN1; SMN2
SCHEMBL5775274 0.75 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL7182897 0.75 HPGD (0.50) KMT2AMAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL7185944 0.73 CES2 (0.40) KMT2AMAPTNPSR1HPGDRAB9A
SCHEMBL29944043 0.73 HSD11B1 (0.66) KMT2AMAPTNPSR1POLBSPR
SCHEMBL3456204 0.73 HSD11B1 (0.66) KMT2AMAPTNPSR1POLBSPR
SCHEMBL5778017 0.71 HPGD (0.47) KMT2APOLBSMN1; SMN2HPGDLMNA
SCHEMBL5769961 0.71 MEN1 (0.46) KMT2AMAPTNPSR1HPGDRAB9A
SCHEMBL1934947 0.70 HPGD (0.55) KMT2AHPGDNPC1ALDH1A1
SCHEMBL5772555 0.68 ALDH1A1 (0.70) KMT2AMAPTPOLBSMN1; SMN2HPGD

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 3 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