SCHEMBL14469179

SCHEMBL14469179

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.54
▸ MEN1 O00255 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ ALDH1A2 O94788 1/20 0.49
▸ ALDH2 P05091 1/20 0.49
▸ ALDH3A1 P30838 1/20 0.49
▸ ALDH1A3 P47895 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.46
▸ AIMP2 Q13155 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ ATM Q13315 2/20 0.45
▸ FAAH O00519 1/20 0.44
▸ POLB P06746 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
SCHEMBL14469477 0.91 KMT2A (0.58) ADRB2MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL14469464 0.90 MEN1 (0.45) ADRB2MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL14469115 0.89 MEN1 (0.49) ADRB2MEN1TSHRKMT2AALOX15
SCHEMBL14469462 0.88 FAAH (0.50) ALDH1A1KDM4EFAAHPOLB
SCHEMBL14469180 0.86 ADRB2 (0.49) ADRB2MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL14469475 0.86 ALDH1A1 (0.47) MEN1TSHRKMT2ASMN1; SMN2ALOX15
SCHEMBL14469190 0.86 CYP3A4 (0.48) MEN1TSHRKMT2ACYP3A4CYP2D6
SCHEMBL14469562 0.86 L3MBTL1 (0.47) MEN1TSHRKMT2ASMN1; SMN2ALOX15
SCHEMBL14469285 0.85 L3MBTL1 (0.44) MEN1TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL14469460 0.85 KMT2A (0.51) MEN1TSHRKMT2ASMN1; 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 1 patent. 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
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