SCHEMBL25685444

SCHEMBL25685444

CCc1cccc(C(=O)NC2CCN(CCF)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.63
▸ KMT2A Q03164 2/20 0.57
▸ CARM1 Q86X55 1/20 0.55
▸ PRMT6 Q96LA8 1/20 0.55
▸ SIGMAR1 Q99720 1/20 0.55
▸ DRD4 P21917 7/20 0.54
▸ DRD2 P14416 1/20 0.51
▸ CCR3 P51677 1/20 0.51
▸ SLC6A5 Q9Y345 1/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.51
▸ SLC6A12 P48065 1/20 0.50
▸ SLC6A13 Q9NSD5 1/20 0.50
▸ ADRA1D P25100 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ ADRA1B P35368 1/20 0.50
▸ HTR7 P34969 1/20 0.49
▸ MCHR1 Q99705 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
SCHEMBL17409811 0.87 SMYD3 (0.70) SMYD3KMT2ACARM1PRMT6SIGMAR1
SCHEMBL10263884 0.84 SMYD3 (0.86) SMYD3KMT2A
SCHEMBL24529101 0.81 SMYD3 (0.78) SMYD3KMT2A
SCHEMBL21257402 0.81 SMYD3 (0.78) SMYD3KMT2A
SCHEMBL17409822 0.78 SMYD3 (0.72) SMYD3KMT2A
SCHEMBL21489836 0.78 SMYD3 (1.00) SMYD3
SCHEMBL19701229 0.78 SMYD3 (1.00) SMYD3
SCHEMBL24529100 0.78 SMYD3 (0.72) SMYD3
SCHEMBL22098507 0.77 SMYD3 (0.74) SMYD3KMT2A
SCHEMBL24529113 0.76 SMYD3 (0.66) SMYD3KMT2A

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-2023110700-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-06-22 — — WO disclosed
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