SCHEMBL14078568

SCHEMBL14078568

C=C/C=C(\C=C/N)CN1CCN(C(=O)N2CCC(C(=C)c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.40
▸ AKR1C3 P42330 3/20 0.39
▸ MGLL Q99685 5/20 0.37
▸ MAPT P10636 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LSS P48449 1/20 0.34

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
SCHEMBL14078569 0.91 MGLL (0.47) MGLLMEN1KMT2A
SCHEMBL14078567 0.82 MGLL (0.47) MGLLMEN1KMT2A
SCHEMBL14469477 0.73 KMT2A (0.58) MEN1KMT2A
SCHEMBL14469569 0.73 ALDH1A1 (0.47) MEN1KMT2A
SCHEMBL14469179 0.73 ADRB2 (0.54) MAPTMEN1KMT2A
SCHEMBL14469562 0.73 L3MBTL1 (0.47) MAPTMEN1KMT2A
SCHEMBL14469190 0.73 CYP3A4 (0.48) MEN1KMT2A
SCHEMBL14469285 0.72 L3MBTL1 (0.44) MAPTMEN1KMT2A
SCHEMBL14469549 0.72 KDM4E (0.50) MAPTMEN1KMT2A
SCHEMBL14469478 0.72 SMN1; SMN2 (0.43) MAPTDRD2DRD4DRD3MEN1

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
WO-2008108957-A2 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION (US) 2008-09-12 — — WO disclosed
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