SCHEMBL7954941

SCHEMBL7954941

O=C(C1CCCCC1)N(CCN1CCN(c2ccccc2OC(F)(F)F)CC1)c1ccccn1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.79
ADRA1A P35348 6/20 0.79
DRD4 P21917 4/20 0.79
ADRA1B P35368 4/20 0.79
ADRA1D P25100 3/20 0.79
HTR7 P34969 2/20 0.79
CYP3A4 P08684 2/20 0.79
CYP2D6 P10635 2/20 0.79
TSHR P16473 1/20 0.79
HTR1B P28222 1/20 0.79
HTR2B P41595 2/20 0.78
SMN1; SMN2 Q16637 2/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
LMNA P02545 1/20 0.72
BLM P54132 1/20 0.72
PMP22 Q01453 1/20 0.72
HTR2A P28223 1/20 0.68

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
SCHEMBL7947389 0.91 HTR1A (0.79) HTR1AADRA1ADRD4ADRA1BADRA1D
Way-100,635 SCHEMBL29451114 0.89 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1BADRA1D
Way-100,635 SCHEMBL13398069 0.89 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1BADRA1D
Way-100,635 SCHEMBL30720034 0.89 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1BADRA1D
Way-100,635 SCHEMBL84178 0.89 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL7612647 0.88 HTR1A (0.61) HTR1AADRA1ADRD4ADRA1BADRA1D
Way-100,635 SCHEMBL29486911 0.88 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1BADRA1D
Way-100,635 SCHEMBL6064589 0.88 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1BADRA1D
Way-100,635 SCHEMBL2877337 0.88 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1BADRA1D
Way-100,635 SCHEMBL194436 0.88 HTR1A (0.98) HTR1AADRA1ADRD4ADRA1BADRA1D

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-1000045-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP claimed
WO-1999006382-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 WO claimed
US-6271234-B1 DERIVATIVES WHICH BIND TO SEROTONERGIC RECEPTORS; TREATING DISORDERS OF THE LOWER URINARY TRACT RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2001-08-07 US disclosed