SCHEMBL9045178

SCHEMBL9045178

O=C1c2ccccc2OCN1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.62
DRD2 P14416 5/20 0.62
DRD5 P21918 2/20 0.62
DRD1 P21728 3/20 0.61
HTR1A P08908 8/20 0.55
HTR2A P28223 5/20 0.55
ADRA1A P35348 2/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1B P35368 1/20 0.55
HTR7 P34969 7/20 0.54
HTR6 P50406 3/20 0.54
SIGMAR1 Q99720 2/20 0.54
ABCB11 O95342 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
TBXA2R P21731 1/20 0.52
SLC6A4 P31645 1/20 0.52
OPRM1 P35372 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL9049248 0.94 DRD2 (0.71) DRD3DRD2DRD5DRD1HTR1A
Hydrochloric Acid SCHEMBL9587355 0.93 DRD2 (0.69) DRD3DRD2DRD5DRD1HTR1A
SCHEMBL9047785 0.86 HTR2C (0.51) DRD3DRD2DRD5DRD1HTR1A
SCHEMBL9048565 0.85 KCNH2 (0.53) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL9047511 0.85 HTR1A (0.54) DRD3DRD2DRD5HTR1AHTR2A
SCHEMBL9369051 0.81 DRD2 (0.63) DRD3DRD2DRD5DRD1HTR1A
SCHEMBL9050672 0.79 HTR7 (0.55) DRD3DRD2DRD5DRD1HTR1A
SCHEMBL9048535 0.78 HTR1A (0.65) DRD3DRD2DRD5HTR1AHTR2A
SCHEMBL9049049 0.78 HTR1A (0.61) DRD3DRD2DRD5HTR1AHTR2A
SCHEMBL11631810 0.77 DRD2 (0.72) DRD3DRD2DRD5DRD1HTR1A

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
EP-0527081-B1 Substituted 3-piperazinylalkyl-2,3-dihydro-4H-1,3-benzoxazine-4-ones, their preparation and their therapeutical use PF MEDICAMENT (FR) 1996-01-03 EP claimed
EP-0722446-A1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1996-07-24 EP disclosed
WO-1996005196-A1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA S.P.A. (IT) 1996-02-22 WO disclosed
US-5308844-A ANTIDEPRESSANT, ANXIOLYTIC AGENT, ANALGESIC, HYPOTENSIVE AGENT PIERRE FABRE MEDICAMENT (FR) 1994-05-03 US disclosed