SCHEMBL14456698

SCHEMBL14456698

O=C(C1CCN(Cc2cc[nH]c(=O)c2)CC1)N1CCN(Cc2ccccc2Br)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ TSHR P16473 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ FAAH O00519 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL14456685 0.81 ALDH1A1 (0.57) KMT2AMEN1TSHRSMN1; SMN2ALOX15
SCHEMBL14456744 0.80 KMT2A (0.56) KMT2AMEN1TSHRSMN1; SMN2ALOX15
SCHEMBL14456909 0.79 CYP3A4 (0.53) KMT2AMEN1TSHRSMN1; SMN2ALOX15
SCHEMBL14456681 0.79 KMT2A (0.52) KMT2AMEN1TSHRSMN1; SMN2ALOX15
SCHEMBL8228144 0.78 KMT2A (0.54) KMT2AMEN1TSHRSMN1; SMN2ALOX15
SCHEMBL8230258 0.78 TSHR (0.49) KMT2AMEN1TSHRSMN1; SMN2ALOX15
SCHEMBL8223229 0.77 TBK1 (0.51) KMT2AMEN1TSHRSMN1; SMN2ALOX15
SCHEMBL8223139 0.77 TSHR (0.48) KMT2AMEN1TSHRSMN1; SMN2ALOX15
SCHEMBL14456706 0.75 TSHR (0.48) KMT2AMEN1TSHRSMN1; SMN2ALOX15
SCHEMBL14456691 0.75 TSHR (0.48) KMT2AMEN1TSHRSMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — WO disclosed
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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