SCHEMBL8056100

SCHEMBL8056100

CCN(CC)CCc1cccc(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
HTR1A P08908 6/20 0.44
HTR6 P50406 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
TSHR P16473 1/20 0.41
DRD1 P21728 2/20 0.38
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
MC4R P32245 1/20 0.38
SCN4A P35499 1/20 0.38
MC3R P41968 1/20 0.38
HTR3A P46098 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL29407427 0.79 ESR1 (0.44) MAPTESR1ESR2TSHRALDH1A1
SCHEMBL599914 0.79 ESR1 (0.44) MAPTESR1ESR2TSHRALDH1A1
SCHEMBL6547407 0.79 ESR1 (0.47) MAPTESR1ESR2TSHRALDH1A1
SCHEMBL30231281 0.79 ESR1 (0.47) MAPTESR1ESR2TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL28176469 0.77 ESR1 (0.43) MAPTESR1ESR2TSHRALDH1A1
Hydrogen Peroxide SCHEMBL28094650 0.75 ESR1 (0.46) MAPTESR1ESR2TSHRALDH1A1
SCHEMBL10933913 0.75 ESR1 (0.42) MAPTESR1ESR2TSHRALDH1A1
SCHEMBL29712516 0.75 ESR1 (0.42) MAPTESR1ESR2TSHRALDH1A1
SCHEMBL8072431 0.74 ESR1 (0.44) MAPTESR1ESR2TSHRALDH1A1
Ethylamine SCHEMBL27423446 0.74 TAAR1 (0.48) MAPTESR1ESR2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797609-B1 POLYESTERS SANOL ARZNEI SCHWARZ GMBH (DE) 2000-05-10 EP claimed