SCHEMBL8050325

SCHEMBL8050325

CN1CCN(CC2=CCCC=C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.44
LMNA P02545 1/20 0.42
CHKA P35790 3/20 0.40
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA2 P00918 1/20 0.38
NCF1 P14598 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.36
NR1H2 P55055 1/20 0.36
CHRNA7 P36544 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL19907842 0.83 SIGMAR1 (0.40) MC4RLMNAMAPT
SCHEMBL12956814 0.80 HRH3 (0.45) KDM4ETDP1ALDH1A1POLBHRH4
SCHEMBL26193868 0.78 ACHE (0.47) ALDH1A1PRMT6
SCHEMBL22080014 0.78 KMT2A (0.45) LMNAKDM4EALDH1A1MAPT
SCHEMBL21418295 0.78 HRH3 (0.34) ALDH1A1
SCHEMBL14148728 0.77 SIGMAR1 (0.44) LMNATDP1ALDH1A1
SCHEMBL21337487 0.76 OPRM1 (0.36)
SCHEMBL14148582 0.75 KDM4E (0.33) KDM4E
SCHEMBL13945588 0.74 LTA4H (0.33)
SCHEMBL12445779 0.74 PARP1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328853-B1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-09-11 EP disclosed
EP-2945943-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed
WO-2009068246-A2 METHODS OF TREATING OBESITY AND METABOLIC DISORDERS ELBION GMBH (DE) 2009-06-04 WO disclosed