SCHEMBL7721328

SCHEMBL7721328

O=C(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 1.00
SLC6A3 Q01959 9/20 1.00
SLC6A2 P23975 1/20 0.64
HTR1A P08908 1/20 0.64

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
Hydrochloric Acid SCHEMBL11077830 0.99 SLC6A4 (0.98) SLC6A4SLC6A3SLC6A2HTR1A
SCHEMBL10638396 0.94 SLC6A4 (0.88) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL10635558 0.93 SLC6A4 (0.86) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL11068578 0.92 SLC6A4 (0.85) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL10638308 0.89 SLC6A4 (0.98) SLC6A4SLC6A3SLC6A2
SCHEMBL11640206 0.88 SLC6A4 (0.78) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL10638536 0.85 SLC6A4 (0.74) SLC6A4SLC6A3SLC6A2
SCHEMBL11110171 0.85 SLC6A4 (0.74) SLC6A4SLC6A3SLC6A2
Mobenzoxamine SCHEMBL2111666 0.83 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2
SCHEMBL17549656 0.82 SLC6A4 (0.70) SLC6A4SLC6A3HTR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6387389-B1 Sustained-release derivatives of hydroxylated analogs of substituted 1-[2[bis(aryl)methoxy]ethyl]-piperazines and -homopiperazines and their use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-05-14 US disclosed
EP-0937053-A1 SUSTAINED-RELEASE DERIVATIVES OF HYDROXYLATED ANALOGS OF SUBSTITUTED 1- 2 BIS(ARYL)METHOXY]ETHYL]-PIPERAZINES AND -HOMOPIPERAZINES AND THEIR USE AS NONCOMPETITIVE ANTAGONISTS OF DOPAMINE REUPTAKE THE UNITED STATES OF AMERICA, as represented by the Secretary of the Department of Health and Human Services (US) 1999-08-25 EP disclosed
WO-1998018769-A1 SUSTAINED-RELEASE DERIVATIVES OF HYDROXYLATED ANALOGS OF SUBSTITUTED 1-[2[BIS(ARYL)METHOXY]ETHYL]-PIPERAZINES AND -HOMOPIPERAZINES AND THEIR USE AS NONCOMPETITIVE ANTAGONISTS OF DOPAMINE REUPTAKE THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-05-07 WO disclosed
EP-0099148-B1 PIPERAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM GIST-BROCADES N.V. (NL) 1988-02-17 EP disclosed
US-4476129-A DOPAMINERGIC AND ANTICMOLINERGIC AGENTS GIST-BROCADES N.V. (NL) 1984-10-09 US disclosed