SCHEMBL26447197

SCHEMBL26447197

CCCN(C)CCCN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
SIGMAR1 Q99720 9/20 0.48
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL25571332 0.98 SIGMAR1 (0.49) HRH3SIGMAR1
SCHEMBL20333472 0.92 HRH3 (0.56) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL17525468 0.90 HRH3 (0.52) HRH3SIGMAR1
SCHEMBL791611 0.88 SIGMAR1 (0.51) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL17526223 0.87 SIGMAR1 (0.55) HRH3SIGMAR1
SCHEMBL17526227 0.87 SIGMAR1 (0.55) HRH3SIGMAR1
SCHEMBL791887 0.86 HRH3 (0.50) HRH3SIGMAR1
SCHEMBL19578675 0.85 SIGMAR1 (0.53) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL20332102 0.83 SIGMAR1 (0.46) HRH3SIGMAR1
SCHEMBL14470976 0.83 SIGMAR1 (0.45) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3

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-20230134280-A1 CATALYSTS FOR THE FORMATION OF POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-04 US disclosed