SCHEMBL9034191

SCHEMBL9034191

O=C1c2cccc3cccc(c23)C(=O)N1OCCN1CCC(c2c[nH]c3cc(F)ccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.57
SLC6A4 P31645 3/20 0.57
HTR1A P08908 4/20 0.56
ADRA1D P25100 3/20 0.56
OPRM1 P35372 2/20 0.53
OPRL1 P41146 2/20 0.53
ADRA1B P35368 1/20 0.51
HTR7 P34969 6/20 0.51
HTR2A P28223 3/20 0.48
KCNH2 Q12809 3/20 0.48
OPRK1 P41145 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR6 P50406 1/20 0.46

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
SCHEMBL9035549 0.93 HTR1A (0.59) DRD2SLC6A4HTR1AOPRM1OPRL1
SCHEMBL9034357 0.88 DRD2 (0.60) DRD2SLC6A4HTR1AADRA1DOPRM1
SCHEMBL9035121 0.84 HTR7 (0.41) SLC6A4HTR1AADRA1DHTR7HTR2A
SCHEMBL9033683 0.81 SLC6A4 (0.64) DRD2SLC6A4HTR1AOPRM1OPRL1
SCHEMBL9033100 0.79 TDP1 (0.43) DRD2SLC6A4HTR1AADRA1DOPRM1
SCHEMBL7260967 0.78 ADRA1D (0.67) DRD2SLC6A4HTR1AADRA1DADRA1B
SCHEMBL9034110 0.77 KDM4E (0.49) DRD2SLC6A4HTR1AOPRM1OPRL1
SCHEMBL9034780 0.77 HTR1A (0.56) DRD2SLC6A4HTR1AHTR7HTR2A
SCHEMBL9034948 0.77 KCNH2 (0.52) DRD2SLC6A4HTR1AADRA1DOPRM1
Hydrochloric Acid SCHEMBL7255426 0.77 ADRA1D (0.68) DRD2SLC6A4HTR1AADRA1DADRA1B

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-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 EP disclosed