SCHEMBL8828637

SCHEMBL8828637

CCCN(c1c(C(=O)N(C)OC)cncc1-c1ccccc1OCC(F)(F)F)N1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 6/20 0.34
▸ HCRTR2 O43614 6/20 0.34
▸ UGCG Q16739 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SCN9A Q15858 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8828647 0.74 FLT3 (0.36) HCRTR1HCRTR2UGCGSCN9A
SCHEMBL8828643 0.74 FLT3 (0.33) HCRTR1HCRTR2SLC6A2SLC6A4SCN9A
SCHEMBL8828564 0.64 SLC6A2 (0.36) SLC6A2SLC6A4CYP2D6TSHRKDM4E
SCHEMBL14894252 0.59 GPBAR1 (0.51) —
SCHEMBL5473619 0.59 SLC6A2 (0.62) SLC6A2SLC6A4LMNA
SCHEMBL29194341 0.58 LMNA (0.49) SLC6A4CYP2D6KDM4ELMNA
Hydrochloric Acid SCHEMBL5858161 0.58 HTR1A (0.61) SLC6A2SLC6A4LMNA
Hydrochloric Acid SCHEMBL8828543 0.58 DRD2 (0.43) —
SCHEMBL8828744 0.57 SLC6A2 (0.46) SLC6A2SLC6A4
SCHEMBL10499645 0.57 SLC6A3 (0.54) UGCGSLC6A4TSHRKDM4ELMNA

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
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 — — US claimed
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