Isonipecotic Acid

Isonipecotic Acid

SCHEMBL7380992

CC(=O)O.O=C(O)C1CCNCC1

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Isonipecotic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 known ✓ P35228 1/20 0.41
▸ TSHR P16473 2/20 0.85
▸ GABRP O00591 1/20 0.85
▸ GABRD O14764 1/20 0.85
▸ GABRA1 P14867 1/20 0.85
▸ GABRB1 P18505 1/20 0.85
▸ GABRG2 P18507 1/20 0.85
▸ GABRB3 P28472 1/20 0.85
▸ GABRA5 P31644 1/20 0.85
▸ GABRA3 P34903 1/20 0.85
▸ GABRA2 P47869 1/20 0.85
▸ GABRB2 P47870 1/20 0.85
▸ GABRA4 P48169 1/20 0.85
▸ GABRE P78334 1/20 0.85
▸ PMP22 Q01453 1/20 0.85
▸ GABRA6 Q16445 1/20 0.85
▸ GABRG1 Q8N1C3 1/20 0.85
▸ GABRG3 Q99928 1/20 0.85
▸ GABRQ Q9UN88 1/20 0.85
▸ SLC6A1 P30531 2/20 0.46

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
Isonipecotic Acid SCHEMBL104297 0.92 — —
Isonipecotic Acid SCHEMBL2027408 0.92 TSHR (1.00) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL28266161 0.90 TSHR (0.85) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL23043998 0.90 TSHR (0.94) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL1703706 0.90 TSHR (0.94) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL30060745 0.90 TSHR (0.94) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL5035880 0.90 TSHR (0.94) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL6122239 0.90 TSHR (0.94) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL2560208 0.90 TSHR (0.94) TSHRGABRPGABRDGABRA1GABRB1
Isonipecotic Acid SCHEMBL31602943 0.90 TSHR (0.94) TSHRGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120131905-A Method for improving stability of illegal preparation of diligent acetate 苏州天马医药集团天吉生物制药有限公司 2025-06-13 — — CN disclosed
CN-109280075-A Peptide amide class compound and preparation method thereof and purposes in medicine 四川海思科制药有限公司 2019-01-29 — — CN disclosed
EP-0885213-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-04-28 — — EP disclosed
EP-0885213-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 — — EP disclosed
WO-1997025323-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 — — WO disclosed
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