SCHEMBL13588409

SCHEMBL13588409

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCC(NC(=O)NCc3cccc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 2/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ DCUN1D1 Q96GG9 9/20 0.44
▸ UBE2M P61081 8/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ DRD4 P21917 3/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL13003430 0.81 SIGMAR1 (0.56) KCNH2MCHR1DCUN1D1UBE2MSIGMAR1
SCHEMBL14469472 0.79 FAAH (0.51) KMT2A
SCHEMBL14469115 0.74 MEN1 (0.49) SIGMAR1MEN1KMT2A
SCHEMBL14469477 0.73 KMT2A (0.58) MEN1KMT2A
SCHEMBL14469464 0.73 MEN1 (0.45) MEN1KMT2A
SCHEMBL14469179 0.72 ADRB2 (0.54) MEN1KMT2A
SCHEMBL4980678 0.72 UBE2M (0.54) TEAD1KCNH2MCHR1DCUN1D1UBE2M
SCHEMBL14469465 0.71 ALDH1A1 (0.49) KCNH2MEN1KMT2A
SCHEMBL14078567 0.70 MGLL (0.47) MEN1KMT2A
SCHEMBL14469590 0.70 ACKR3 (0.52) DRD4

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
EP-1902046-B1 PIPERIDINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORP (US) 2009-12-02 — — EP disclosed
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