SCHEMBL11289296

SCHEMBL11289296

Cc1ccccc1N1CCN(c2nc(N)c3c(n2)CCCC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GBA1 P04062 1/20 0.45
C5AR1 P21730 1/20 0.45
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TNKS O95271 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
ADRB1 P08588 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ACHE P22303 3/20 0.41
HTR3A P46098 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
SPR P35270 1/20 0.40
MAPT P10636 2/20 0.40
BCHE P06276 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40

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
SCHEMBL11290070 0.82 HSD17B10 (0.64) HSD17B10SMN1; SMN2HPGDKDM4ETNKS
SCHEMBL11278787 0.80 SMN1; SMN2 (0.49) HSD17B10SMN1; SMN2HPGDKDM4ETNKS
SCHEMBL11283262 0.79 KMT2A (0.50) HPGDKDM4EALDH1A1ACHEHTR3A
SCHEMBL11284725 0.78 NPC1 (0.58) HSD17B10SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL11278102 0.77 LMNA (0.56) HSD17B10SMN1; SMN2KDM4ETNKSTNKS2
SCHEMBL11282521 0.76 HTR3A (0.55) HSD17B10SMN1; SMN2HPGDKDM4EADRB1
SCHEMBL11285567 0.75 KDM4E (0.41) HSD17B10SMN1; SMN2GBA1HPGDKDM4E
SCHEMBL11282866 0.75 GBA1 (0.55) HSD17B10SMN1; SMN2GBA1HPGDKDM4E
SCHEMBL11287133 0.75 ALDH1A1 (0.50) HSD17B10SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL11282875 0.74 LMNA (0.58) HSD17B10SMN1; SMN2HPGDKDM4EALDH1A1

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
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US disclosed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 EP disclosed