SCHEMBL18501249

SCHEMBL18501249

CCCCN(C)C1CCCN(C(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
SIGMAR1 Q99720 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 3/20 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
SCHEMBL18501245 0.90 HRH3 (0.41) HRH3SMN1; SMN2
SCHEMBL16996999 0.84 TSHR (0.39) SIGMAR1SMN1; SMN2
SCHEMBL19939276 0.83 HRH3 (0.36) HRH3SMN1; SMN2
SCHEMBL12885052 0.80 HRH3 (0.37) HRH3SMN1; SMN2
SCHEMBL19591968 0.80 HRH3 (0.46) HRH3SMN1; SMN2
SCHEMBL22387981 0.79 PIK3CD (0.44) SIGMAR1
SCHEMBL17263240 0.78 HRH3 (0.35) HRH3
SCHEMBL25461021 0.76 HRH3 (0.33) HRH3SMN1; SMN2
SCHEMBL25461022 0.76 HRH3 (0.33) HRH3SMN1; SMN2
SCHEMBL13754476 0.76 DRD2 (0.35) HRH3

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-9567334-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-14 US disclosed