SCHEMBL11283262

SCHEMBL11283262

CN1CCN(c2nc(N)c3c(n2)CCCC3)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
HTR2C P28335 2/20 0.48
HRH4 Q9H3N8 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HTR3A P46098 2/20 0.48
HPGD P15428 1/20 0.48
HTR2A P28223 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ACHE P22303 3/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
BPTF Q12830 1/20 0.43

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
SCHEMBL11281948 0.81 LMNA (0.44) KMT2AHTR2CKDM4EHPGDALDH1A1
SCHEMBL11426226 0.81 GBA1 (0.45) KMT2AHTR2CKDM4EHPGDALDH1A1
SCHEMBL11280239 0.81 HTR2C (0.64) KMT2AHTR2CHRH4KDM4EHPGD
SCHEMBL11285567 0.80 KDM4E (0.41) KMT2AHTR2CHRH4KDM4EHTR3A
SCHEMBL11278787 0.80 SMN1; SMN2 (0.49) KMT2AKDM4EHPGDALDH1A1ACHE
Hydrochloric Acid SCHEMBL11292638 0.79 HTR2C (0.62) KMT2AHTR2CHRH4KDM4EHPGD
SCHEMBL11282952 0.79 HTR2C (0.62) KMT2AHTR2CHRH4KDM4EHPGD
SCHEMBL11402503 0.79 HTR2C (0.71) KMT2AHTR2CHRH4KDM4EHPGD
SCHEMBL11278582 0.79 HTR2C (0.58) HTR2CHRH4KDM4EHTR3AHPGD
SCHEMBL11284746 0.79 HSD17B10 (0.42) KMT2AHTR2CKDM4EHPGDALDH1A1

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