SCHEMBL7947514

SCHEMBL7947514

COc1ccc(Br)c(CN2CCN(CCN(C(=O)C3CCCCC3)c3ccccn3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.63
ADRA1A P35348 6/20 0.63
DRD4 P21917 6/20 0.63
ADRA1B P35368 5/20 0.63
ADRA1D P25100 3/20 0.63
HTR7 P34969 3/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
TSHR P16473 1/20 0.63
HTR1B P28222 1/20 0.63
HTR2B P41595 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
HTR2A P28223 2/20 0.60
LMNA P02545 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58

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
SCHEMBL7610111 0.84 HTR1A (0.44) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL27755942 0.83 HTR1A (0.78) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL7035122 0.83 HTR1A (0.81) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL7617005 0.83 HTR1A (0.46) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL8302157 0.81 HTR1A (0.67) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL7956992 0.80 HTR1A (0.78) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL7947512 0.79 HTR1A (0.66) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL8296419 0.79 HTR1A (0.63) HTR1AADRA1ADRD4ADRA1BADRA1D
SCHEMBL9054658 0.79 HTR1A (0.81) HTR1AADRA1ADRD4ADRA1BADRA1D
Way-100,635 SCHEMBL30720034 0.78 HTR1A (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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