SCHEMBL14469167

SCHEMBL14469167

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccccc3C)[C@H](C)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ ACHE P22303 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ TSHR P16473 1/20 0.35
▸ FABP6 P51161 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL14469165 0.91 TSHR (0.39) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL14469560 0.89 ALDH1A1 (0.47) ALDH1A1ACHEKMT2AKDM4EMEN1
SCHEMBL14469569 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL14469451 0.78 TSHR (0.46) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL14469551 0.78 KDM4E (0.48) ALDH1A1KMT2AKDM4EMEN1DRD2
SCHEMBL14469477 0.78 KMT2A (0.58) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL14469473 0.77 KMT2A (0.43) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL14469461 0.77 HDAC1 (0.46) ACHEKMT2AKDM4EMEN1DRD4
SCHEMBL14469460 0.74 KMT2A (0.51) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL14469466 0.74 MEN1 (0.39) ALDH1A1KMT2AKDM4EMEN1TSHR

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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