SCHEMBL8137002

SCHEMBL8137002

Cc1cc(N2CCC2)cn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
CHRNA7 P36544 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CHRNB2 P17787 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
APOBEC3A P31941 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL8139084 0.78 DRD2 (0.44) HSD17B10MAPTMEN1KMT2AHTT
SCHEMBL8130875 0.78 HTR3E (0.48) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8128832 0.78 ALDH1A1 (0.50) HSD17B10CYP3A4MAPTMEN1KMT2A
SCHEMBL8148983 0.74 PDK2 (0.41) MAPK1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL569307 0.73 LMNA (0.61) HSD17B10CHRNA7CYP3A4ALOX15CHRNB2
SCHEMBL16924863 0.73 LMNA (0.61) HSD17B10CHRNA7CYP3A4ALOX15CHRNB2
SCHEMBL8142857 0.72 ALDH1A1 (0.53) HSD17B10RAB9AKMT2ANPC1COMT
SCHEMBL8139399 0.71 ALDH1A1 (0.44) HSD17B10ALOX15MAPK1MAPTRAB9A
SCHEMBL576673 0.71 LMNA (0.58) HSD17B10CHRNA7CYP3A4ALOX15CHRNB2
SCHEMBL577708 0.71 LMNA (0.58) HSD17B10CHRNA7CYP3A4ALOX15CHRNB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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