SCHEMBL11785147

SCHEMBL11785147

COc1ccccc1CCCN1C[C@H](C)NC[C@H]1C

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.64
▸ HRH3 Q9Y5N1 3/20 0.50
▸ KCNH2 Q12809 2/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.40
▸ MPO P05164 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL11785152 1.00 SIGMAR1 (0.64) SIGMAR1HRH3KCNH2TAAR1MPO
SCHEMBL11785140 1.00 SIGMAR1 (0.64) SIGMAR1HRH3KCNH2TAAR1MPO
SCHEMBL11787525 0.83 SIGMAR1 (0.69) SIGMAR1HRH3TAAR1
SCHEMBL11787517 0.83 SIGMAR1 (0.69) SIGMAR1HRH3TAAR1
SCHEMBL11787522 0.83 SIGMAR1 (0.69) SIGMAR1HRH3TAAR1
SCHEMBL3252055 0.79 SIGMAR1 (1.00) SIGMAR1
SCHEMBL3252058 0.79 SIGMAR1 (1.00) SIGMAR1
SCHEMBL3252059 0.79 SIGMAR1 (1.00) SIGMAR1
SCHEMBL11795394 0.71 SIGMAR1 (0.74) SIGMAR1HRH3TAAR1ALDH1A1
SCHEMBL11795403 0.71 SIGMAR1 (0.74) SIGMAR1HRH3TAAR1ALDH1A1

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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