SCHEMBL9230400

SCHEMBL9230400

O=C(Nc1ccc2c(c1)OCCO2)OCCCN1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ HTR1A P08908 2/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MALT1 Q9UDY8 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9227703 0.95 MAPT (0.49) DRD2DRD4HTR1AHTR1DHTR1B
SCHEMBL9226276 0.87 ALDH1A1 (0.52) DRD2DRD4HTR1AEPHX2ALDH1A1
SCHEMBL9230359 0.82 ADRA1A (0.49) DRD2HTR1AHTR1DHTR1BSLC6A4
SCHEMBL9223178 0.81 TSHR (0.54) DRD2DRD4HTR1AEPHX2ALDH1A1
SCHEMBL9230859 0.81 HTR1A (0.47) DRD2HTR1AHTR1DHTR1BEPHX2
SCHEMBL9559588 0.80 NPC1 (0.55) DRD2EPHX2ALDH1A1KDM4EMEN1
SCHEMBL9224851 0.80 ALDH1A1 (0.50) EPHX2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9559847 0.80 TSHR (0.51) DRD2HTR1AHTR1DHTR1BEPHX2
SCHEMBL9230829 0.78 HTR1A (0.51) DRD2DRD4HTR1AHTR1DHTR1B
SCHEMBL9225187 0.78 ALDH1A1 (0.47) DRD2DRD4HTR1AEPHX2ALDH1A1

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-0544765-B1 Piperazinyl derivatives with affinity for 5-HT receptors NOVO NORDISK AS (DK) 1995-08-02 — — EP disclosed
US-5246935-A Cardiovascular and gastrointestinal NOVO NORDISK A/S (DK) 1993-09-21 — — US disclosed
EP-0544765-A1 PIPERAZINYL DERIVATIVES. NOVO NORDISK AS (DK) 1993-06-09 — — EP disclosed
WO-1992003426-A1 PIPERAZINYL DERIVATIVES NOVO NORDISK A/S (DK) 1992-03-05 — — WO disclosed
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