SCHEMBL23969192

SCHEMBL23969192

C=C(CCc1ccc(CC)cc1C(=C)CC)NCCNC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.34
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
THPO P40225 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
BLM P54132 1/20 0.30
GFER P55789 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23969316 0.88 MTNR1A (0.37) MTNR1AMAPK1KDM4ELMNA
SCHEMBL22175873 0.86
SCHEMBL22175925 0.83 MEN1 (0.36) MTNR1AMAPTTP53CYP1A2ALOX15
SCHEMBL22175847 0.81 SIGMAR1 (0.40) MTNR1AMAPTTP53CYP1A2ALOX15
SCHEMBL22176515 0.79 MTNR1A (0.35) MTNR1AMAPTTP53CYP1A2ALOX15
SCHEMBL22175868 0.75 GABRG2 (0.31) TSHRHSD17B10ALDH1A1HPGD
SCHEMBL22176065 0.74 HPGD (0.33) MTNR1AALDH1A1HPGD
SCHEMBL22175843 0.74 THRB (0.42) ALOX15TSHRNFKB1ALDH1A1LMNA
SCHEMBL23969189 0.74 MEN1 (0.36) MTNR1ATSHRHSD17B10KDM4EALDH1A1
SCHEMBL23969380 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3903788-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2021-11-03 EP disclosed