SCHEMBL14469554

SCHEMBL14469554

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccccc3OCc3c(Cl)cccc3Cl)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ ALDH1A2 O94788 1/20 0.38
▸ ALDH2 P05091 1/20 0.38
▸ ALDH3A1 P30838 1/20 0.38
▸ ALDH1A3 P47895 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL14469569 0.88 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2ATSHRALOX15
SCHEMBL14469466 0.88 MEN1 (0.39) SMN1; SMN2MEN1KMT2ATSHRALOX15
SCHEMBL14469551 0.87 KDM4E (0.48) SMN1; SMN2MEN1KMT2AALOX15RAB9A
SCHEMBL14469114 0.85 RAB9A (0.41) SMN1; SMN2MEN1KMT2AALOX15RAB9A
SCHEMBL14469461 0.82 HDAC1 (0.46) SMN1; SMN2MEN1KMT2ATSHRALOX15
SCHEMBL14469451 0.82 TSHR (0.46) SMN1; SMN2MEN1KMT2ATSHRALOX15
SCHEMBL14469560 0.82 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2ATSHRALOX15
SCHEMBL14469555 0.82 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ATSHRALOX15
SCHEMBL14469477 0.82 KMT2A (0.58) SMN1; SMN2MEN1KMT2ATSHRALOX15
SCHEMBL14469473 0.81 KMT2A (0.43) SMN1; SMN2MEN1KMT2ATSHRALOX15

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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