SCHEMBL11337873

SCHEMBL11337873

Cc1ccc(CN2CCC(NC(=O)NC(=O)c3ccccc3)CC2)cc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.71
▸ MCHR1 Q99705 6/20 0.58
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ CCR3 P51677 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ KCNH2 Q12809 1/20 0.50
▸ DCUN1D1 Q96GG9 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ CCR2 P41597 1/20 0.49
▸ F10 P00742 1/20 0.49
▸ HPN P05981 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49
▸ HGFAC Q04756 1/20 0.49
▸ ST14 Q9Y5Y6 1/20 0.49
▸ ATM Q13315 1/20 0.49

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
SCHEMBL9590759 0.91 DRD4 (0.75) DRD4MCHR1MEN1KMT2ACCR3
SCHEMBL11065384 0.85 KMT2A (0.69) DRD4KMT2ACCR3SMN1; SMN2POLB
SCHEMBL9592476 0.85 DRD4 (0.67) DRD4MCHR1MEN1KMT2ACCR3
SCHEMBL9593263 0.84 DRD4 (0.79) DRD4MCHR1MEN1KMT2ACCR3
SCHEMBL9591635 0.84 DRD4 (0.78) DRD4MCHR1MEN1KMT2ALMNA
SCHEMBL9592451 0.84 DRD4 (0.71) DRD4MCHR1MEN1KMT2ACCR3
SCHEMBL8786936 0.83 DRD4 (1.00) DRD4MCHR1MEN1KMT2ALMNA
Panuramine SCHEMBL2037759 0.83 MCHR1 (0.83) DRD4MCHR1MEN1KMT2ACCR3
SCHEMBL9590922 0.83 DRD4 (0.77) DRD4MCHR1MEN1KMT2ACCR3
SCHEMBL9591654 0.83 DRD4 (0.84) DRD4MCHR1MEN1KMT2ALMNA

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-0035374-A2 Piperidyl - urea, - thiourea and - guanidine derivatives, and intermediates therefor, processes for preparing them and pharmaceutical compositions containing the derivatives JOHN WYETH & BROTHER LIMITED (GB) 1981-09-09 — — EP claimed
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