SCHEMBL5757671

SCHEMBL5757671

O=c1cc(N2CCNCC2)cn[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 9/20 0.53
▸ CHRNA4 P43681 9/20 0.53
▸ CHRNA1 P02708 1/20 0.47
▸ CHRNA7 P36544 1/20 0.47
▸ ADRB1 P08588 2/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ HTR1A P08908 5/20 0.44
▸ HTR7 P34969 5/20 0.44
▸ HTR2B P41595 5/20 0.44
▸ HTR6 P50406 5/20 0.44
▸ ADRB2 P07550 1/20 0.43
▸ NCF1 P14598 1/20 0.43
▸ PLD1 Q13393 1/20 0.43
▸ HTR2A P28223 2/20 0.42
▸ HTR3A P46098 2/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42

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
Hydrochloric Acid SCHEMBL4812347 0.98 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA1CHRNA7ADRB1
SCHEMBL30961923 0.85 POLB (0.46) CHRNB2CHRNA4CHRNA1CHRNA7HTR3A
SCHEMBL5761331 0.84 ALDH1A1 (0.47) CHRNB2CHRNA4CHRNA1CHRNA7HTR3A
SCHEMBL1588164 0.81 POLB (0.50) HTR3A
SCHEMBL5759446 0.81 ALDH1A1 (0.47) —
SCHEMBL31574277 0.80 SYK (0.41) CHRNB2CHRNA4
SCHEMBL12205345 0.72 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA1CHRNA7ADRB2
SCHEMBL30961905 0.72 TIPARP (0.51) —
SCHEMBL23529282 0.71 SIGMAR1 (0.46) CHRM2CHRM1SIGMAR1
SCHEMBL20831766 0.70 SLC6A2 (0.50) CYP2D6HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113939295-B Pyridazinones and methods of use thereof 金翅雀生物公司 2025-05-16 — — CN disclosed
CN-100448875-C Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-01-07 — — CN disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 — — EP disclosed
CN-1675203-A Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2005-09-28 — — CN disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 — — EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 — — WO disclosed
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