SCHEMBL8828243

SCHEMBL8828243

COc1ccc(CCN2CCCCC2CCN)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
KDM4E B2RXH2 2/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
SIGMAR1 Q99720 5/20 0.44
EBP Q15125 2/20 0.44
MAPT P10636 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
HSP90AA1 P07900 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
SCHEMBL8828287 0.96 MAPK1 (0.53) MAPK1KDM4EATMSMN1; SMN2ALDH1A1
SCHEMBL8828284 0.96 MAPK1 (0.53) MAPK1KDM4EATMSMN1; SMN2ALDH1A1
SCHEMBL9739796 0.87 MAPK1 (0.57) MAPK1KDM4ESMN1; SMN2ALDH1A1CRHBP
SCHEMBL9740312 0.87 MAPK1 (0.57) MAPK1KDM4ESMN1; SMN2ALDH1A1CRHBP
SCHEMBL8828205 0.85 MAPK1 (0.60) MAPK1KDM4ESMN1; SMN2ALDH1A1CRHBP
SCHEMBL5191198 0.84 MAPK1 (0.56) MAPK1KDM4ESMN1; SMN2ALDH1A1CRHBP
SCHEMBL8828312 0.82 MAPK1 (0.57) MAPK1KDM4ESMN1; SMN2ALDH1A1CRHBP
SCHEMBL8828191 0.81 SPHK2 (0.58) MAPK1SMN1; SMN2ALDH1A1
SCHEMBL8828199 0.81 SPHK2 (0.58) MAPK1SMN1; SMN2ALDH1A1
SCHEMBL26024359 0.81 MAPK1 (0.55) MAPK1KDM4ESMN1; SMN2ALDH1A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed