SCHEMBL9013728

SCHEMBL9013728

COc1ccc(-c2nc(C)cc(OCCN3CCN(c4ccccc4)CC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 2/20 0.53
ESR1 P03372 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL6588886 0.92 KDM4E (0.58) LMNAMAPTTSHRKDM4EMAPK1
Maleic Acid SCHEMBL9013664 0.89 HTR1A (0.50)
Fumaric Acid SCHEMBL9013669 0.89 HTR1A (0.50)
Maleic Acid SCHEMBL9013486 0.89 ESR1 (0.48) ESR1
Fumaric Acid SCHEMBL9013491 0.89 ESR1 (0.48) ESR1
SCHEMBL9013604 0.85 MEN1 (0.52) ESR1
Hydrochloric Acid SCHEMBL9013338 0.85 ESR1 (0.64) ESR1
Hydrochloric Acid SCHEMBL9013522 0.84 ESR1 (0.53) ESR1
Fumaric Acid SCHEMBL9013612 0.84 KDM4E (0.50) LMNAMAPTTSHRKDM4EMAPK1
Maleic Acid SCHEMBL9013610 0.84 KDM4E (0.50) LMNAMAPTTSHRKDM4EMAPK1

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-5589477-A LEARNING ENHANCEMENT, CNS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-12-31 US disclosed
EP-0555478-A1 PYRIMIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-18 EP disclosed