SCHEMBL9464271

SCHEMBL9464271

C1CCC2CCCCC(C1)N2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1829675 0.96
SCHEMBL550510 0.96 CYP2C9 (0.39) ALDH1A1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL21965258 0.96 MAPK1 (0.38) ALDH1A1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL551635 0.92 CYP2C9 (0.37) ALDH1A1CHRNB2CHRNA3CHRNA4CHRNB3
Hydrochloric Acid SCHEMBL1819609 0.92 CYP2C9 (0.37) ALDH1A1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL7848795 0.92 CYP2C9 (0.37) ALDH1A1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL550147 0.92 CYP2C9 (0.37) ALDH1A1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL16878579 0.92 MAPK1 (0.36) ALDH1A1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL550429 0.91
SCHEMBL14545648 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5244899-A Azabicycloalkyl and azatricycloalkyl amides used to treat inflammation, allergy, asthma and skin disorders G. D. SEARLE AND CO. (US) 1993-09-14 US claimed
US-5198435-A Antiinflammatory, antiallergen G. D. SEARLE & CO. (US) 1993-03-30 US claimed
US-20240287383-A1 SILICON-ETCHANT COMPOSITION AND METHOD OF FORMING PATTERN USING THE SAME DONGWOO FINE-CHEM CO., LTD. (KR) 2024-08-29 US disclosed
CN-118530724-A Silicon etchant composition and method of forming pattern using the same 东友精细化工有限公司 2024-08-23 CN disclosed
US-5244899-A Azabicycloalkyl and azatricycloalkyl amides used to treat inflammation, allergy, asthma and skin disorders G. D. SEARLE AND CO. (US) 1993-09-14 US disclosed
US-5198435-A Antiinflammatory, antiallergen G. D. SEARLE & CO. (US) 1993-03-30 US disclosed
US-5157053-A Bicycloalky, tricycloalkyl, azabicycloalkyl, and azatricycloalkyl thio amides used to treat inflammation, allergy, asthma and skin disorders G. D. SEARLE & CO. (US) 1992-10-20 US disclosed
US-5019597-A Antiinflammatory Agents, Antiallergens G. D. SEARLE & CO. (US) 1991-05-28 US disclosed
EP-0190684-A2 Bicycloalkyl, tricycloalkyl, azabicycloalkyl and azatricycloalkyl amides G.D. Searle & Co. (US) 1986-08-13 EP disclosed