SCHEMBL11142374

SCHEMBL11142374

CC(CN1CCC(NC(=O)CC(C)(C)C)CC1)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADIPOR2 Q86V24 1/20 0.48
▸ ADIPOR1 Q96A54 1/20 0.48
▸ CYP3A4 P08684 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SCN1A P35498 1/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT6 Q96LA8 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
SCHEMBL11141846 0.88 ADIPOR2 (0.50) ADIPOR2ADIPOR1CYP3A4HPGDCYP2C19
SCHEMBL11144343 0.86 ADIPOR2 (0.48) ADIPOR2ADIPOR1CYP3A4HPGDCYP2C19
SCHEMBL11148320 0.86 ADIPOR2 (0.47) ADIPOR2ADIPOR1DRD2DRD3ALDH1A1
SCHEMBL11142321 0.86 CARM1 (0.58) CYP3A4CYP2C19MEN1KMT2ASCN1A
Hydrochloric Acid SCHEMBL11255924 0.85 ADIPOR2 (0.46) ADIPOR2ADIPOR1DRD2DRD3ALDH1A1
SCHEMBL11142378 0.84 SSTR4 (0.43) ADIPOR2ADIPOR1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11144955 0.84 ADIPOR2 (0.45) ADIPOR2ADIPOR1DRD2DRD3ALDH1A1
SCHEMBL11143476 0.84 ALDH1A1 (0.47) ADIPOR2ADIPOR1HPGDKMT2AALDH1A1
SCHEMBL11137457 0.82 ALDH1A1 (0.49) HPGDCYP2C19KMT2AALDH1A1SMN1; SMN2
SCHEMBL11142186 0.81 ALDH1A1 (0.53) CYP2C19DRD2DRD3KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339576-A Anti-asthmatic, anti-allergic, anti-cholinergic, bronchodilator and anti-inflammatory 1-[(benzoylphenyl)-lower-alkyl]piperidines and analogs thereof STERLING DRUG INC. (US) 1982-07-13 — — US claimed
US-4396765-A ANTIASTHMATICS, BRONCHODILATORS STERLING DRUG INC. (US) 1983-08-02 — — US disclosed
US-4339576-A Anti-asthmatic, anti-allergic, anti-cholinergic, bronchodilator and anti-inflammatory 1-[(benzoylphenyl)-lower-alkyl]piperidines and analogs thereof STERLING DRUG INC. (US) 1982-07-13 — — US disclosed
US-4304911-A ANTIHISTAMINES, ANTIALLERGENS, ANTICHOLINERGIC AGENTS, ANTIINFLAMMATORY AGENTS, BRONCHODILATOR AGENTS, AND ANALGESICS STERLING DRUG INC. (US) 1981-12-08 — — US disclosed
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