SCHEMBL6584365

SCHEMBL6584365

NC1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ GRIN2B Q13224 10/20 0.56
▸ CYP2D6 P10635 4/20 0.55
▸ CYP2C9 P11712 4/20 0.55
▸ CYP3A4 P08684 3/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ CHRM4 P08173 2/20 0.52
▸ HTT P42858 1/20 0.50
▸ TPSAB1 Q15661 1/20 0.49
▸ TPSD1 Q9BZJ3 1/20 0.49
▸ TPSG1 Q9NRR2 1/20 0.49
▸ FAAH O00519 1/20 0.48

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
SCHEMBL618472 0.90 SMN1; SMN2 (0.74) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
Hydrochloric Acid SCHEMBL716107 0.88 SMN1; SMN2 (0.72) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL13661587 0.88 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL22497996 0.86 SMN1; SMN2 (0.62) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL13661148 0.86 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL25305267 0.85 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL13661324 0.85 MEN1 (0.70) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL25602786 0.85 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL13661312 0.85 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL13547181 0.85 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076055-B1 1- (1-SUBSTITUTED-4-PIPERIDINYL)METHYL]-4-PIPERIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THESE COMPOUNDS DAINIPPON PHARMACEUTICAL CO (JP) 2004-11-24 — — EP disclosed
US-6294555-B1 SEROTONIN HT3 RECEPTOR ANTAGONIST FOR GASTROINTESTINAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-09-25 — — US disclosed
EP-1076055-A1 1- (1-SUBSTITUTED-4-PIPERIDINYL)METHYL]-4-PIPERIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THESE COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 2001-02-14 — — EP disclosed
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