SCHEMBL11795394

SCHEMBL11795394

Cc1cccc(CCCN2C[C@@H](C)NC[C@@H]2C)c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.74
▸ HRH3 Q9Y5N1 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ DAO P14920 1/20 0.37

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
SCHEMBL11795403 1.00 SIGMAR1 (0.74) SIGMAR1HRH3KDM4EALDH1A1TAAR1
SCHEMBL11795413 1.00 SIGMAR1 (0.74) SIGMAR1HRH3KDM4EALDH1A1TAAR1
SCHEMBL3252059 0.85 SIGMAR1 (1.00) SIGMAR1
SCHEMBL3252058 0.85 SIGMAR1 (1.00) SIGMAR1
SCHEMBL3252055 0.85 SIGMAR1 (1.00) SIGMAR1
SCHEMBL18411348 0.84 SIGMAR1 (0.53) SIGMAR1HRH3
SCHEMBL11787517 0.76 SIGMAR1 (0.69) SIGMAR1HRH3TAAR1DAO
SCHEMBL11787525 0.76 SIGMAR1 (0.69) SIGMAR1HRH3TAAR1DAO
SCHEMBL11787522 0.76 SIGMAR1 (0.69) SIGMAR1HRH3TAAR1DAO
SCHEMBL11785147 0.71 SIGMAR1 (0.64) SIGMAR1HRH3ALDH1A1TAAR1

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-3962249-A 1-(3-PHENYLPROPYL)-4-FUROYLPIPERAZINE DERIVATIVES KYORIN SEIYAKU KABUSHIKI KAISHA (JA) 1976-06-08 — — US disclosed
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