SCHEMBL14456780

SCHEMBL14456780

O=C(C1CCN(Cc2ccncc2)CC1)N1CCN(CC2CCCCC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CYP3A4 P08684 4/20 0.52
▸ CYP2D6 P10635 2/20 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
SCHEMBL14456892 0.89 MEN1 (0.63) MEN1KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL13588422 0.86 MEN1 (0.72) SMN1; SMN2MEN1KMT2ATSHRKDM4E
SCHEMBL14456748 0.84 KMT2A (0.73) SMN1; SMN2MEN1KMT2ATSHRKDM4E
SCHEMBL14456826 0.83 L3MBTL1 (0.57) MEN1KMT2ATSHRL3MBTL1CYP3A4
SCHEMBL14456755 0.83 CYP3A4 (0.65) SMN1; SMN2MEN1KMT2ATSHRKDM4E
SCHEMBL14456802 0.82 L3MBTL1 (0.60) MEN1KMT2ATSHRALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL1449121 0.81 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ATSHRKDM4E
SCHEMBL14456891 0.80 HIF1A (0.60) MEN1KMT2ATSHRL3MBTL1CYP3A4
SCHEMBL14456786 0.80 MEN1 (0.63) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL13003531 0.80 ACKR3 (0.61) —

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
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
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