SCHEMBL5505978

SCHEMBL5505978

COCCN1CCC(C2=C(F)[CH]CC=C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.41
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
KDM1A O60341 1/20 0.36
MAP3K12 Q12852 2/20 0.35
ACKR3 P25106 1/20 0.34
HTR4 Q13639 1/20 0.34
DRD2 P14416 2/20 0.33
SLC18A3 Q16572 1/20 0.33
HRH2 P25021 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5502040 0.81 RECQL (0.35) DRD2SLC18A3ALDH1A1
SCHEMBL26157260 0.67 KDM1A (0.44) HRH1TLR9TLR8TLR7KDM1A
SCHEMBL6643569 0.67 HRH1 (0.38) HRH1CCNT1CDK9MAPK11MAPK14
SCHEMBL22415909 0.67 CCNT1 (0.39) CCNT1CDK9MAPK11MAPK14TLR9
SCHEMBL30010674 0.67 CCNT1 (0.39) CCNT1CDK9MAPK11MAPK14TLR9
SCHEMBL18776398 0.67 KDM1A (0.42) HRH1MAPK11MAPK14KDM1AMAP3K12
SCHEMBL8096432 0.66 DRD2 (0.68) KDM1ADRD2SLC18A3
SCHEMBL21936084 0.66 NTRK1 (0.43) HRH1CCNT1CDK9TLR9TLR8
SCHEMBL22415828 0.66 DRD2 (0.50) CCNT1CDK9DRD2SLC18A3ALDH1A1
SCHEMBL30010274 0.66 DRD2 (0.50) CCNT1CDK9DRD2SLC18A3ALDH1A1

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
EP-1773772-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-18 EP disclosed
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO disclosed