SCHEMBL13588404

SCHEMBL13588404

O=C(NCc1ccc(Cl)cc1)NC1CCN(C(=O)C2CCNCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 4/20 0.59
▸ DRD4 P21917 1/20 0.50
▸ SMYD3 Q9H7B4 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MCHR1 Q99705 4/20 0.45
▸ EPHX2 P34913 2/20 0.45
▸ HPGD P15428 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ KDM5A P29375 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL14624528 0.86 EPHX1 (0.74) EPHX1DRD4MEN1KMT2AHPGD
SCHEMBL13003422 0.81 DRD4 (0.58) EPHX1DRD4MCHR1SMN1; SMN2HRH3
SCHEMBL24011381 0.81 EPHX1 (0.57) EPHX1DRD4MEN1KMT2AMCHR1
SCHEMBL4981939 0.78 EPHX1 (0.71) EPHX1DRD4MEN1KMT2AMCHR1
SCHEMBL13003424 0.78 CCR1 (0.45) SMYD3EPHX2
SCHEMBL24011708 0.77 EPHX1 (0.53) EPHX1DRD4MEN1KMT2AMCHR1
SCHEMBL24011707 0.77 EPHX1 (0.53) EPHX1DRD4MEN1KMT2AMCHR1
SCHEMBL24011500 0.77 EPHX1 (0.53) EPHX1DRD4MEN1KMT2AMCHR1
SCHEMBL24011081 0.76 RAB9A (0.59) EPHX1MEN1KMT2AMCHR1EPHX2
SCHEMBL24011424 0.76 EPHX1 (0.59) EPHX1DRD4MEN1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902046-B1 PIPERIDINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORP (US) 2009-12-02 — — EP disclosed
WO-2007001975-A1 PIPERIDINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-01-04 — — WO disclosed
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