SCHEMBL11290490

SCHEMBL11290490

OCCNc1nc(N2CCNCC2)nc2c1CCCC2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.53
HTR2A P28223 2/20 0.43
HRH1 P35367 1/20 0.41
IGF1R P08069 8/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
VCP P55072 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL11286732 0.85 HTR2C (0.54) HTR2CHTR2AHRH1IGF1RUSP2
SCHEMBL11277831 0.84 HTR2C (0.59) HTR2CHTR2AHRH1IGF1RUSP2
SCHEMBL11285166 0.81 KDM4E (0.39) IGF1RSMN1; SMN2VCPKDM4EHPGD
SCHEMBL11100907 0.81 HTR2C (0.38) HTR2CHTR2AHRH1USP2SMN1; SMN2
SCHEMBL11286718 0.80 HTR2A (0.65) HTR2CHTR2AHRH1IGF1RUSP2
SCHEMBL11198472 0.78 ALDH1A1 (0.60) HTR2CUSP2SMN1; SMN2KDM4EHPGD
SCHEMBL11201180 0.77 ALDH1A1 (0.59) HTR2CUSP2SMN1; SMN2KDM4EHPGD
Hydrochloric Acid SCHEMBL11200060 0.77 ALDH1A1 (0.59) HTR2CUSP2SMN1; SMN2KDM4EHPGD
SCHEMBL11279746 0.77 HTR2A (0.65) HTR2CHTR2AHRH1IGF1RUSP2
SCHEMBL11200702 0.76 ALDH1A1 (0.57) HTR2CUSP2SMN1; SMN2KDM4EHPGD

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