SCHEMBL11147004

SCHEMBL11147004

CC(CN1CCC(NC(=O)c2ccc(Br)cc2)CC1)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.53
▸ PRMT6 Q96LA8 1/20 0.53
▸ SCN1A P35498 1/20 0.52
▸ SCN5A Q14524 1/20 0.52
▸ SCN9A Q15858 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ADRA1D P25100 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ ADRA1B P35368 1/20 0.48
▸ MCHR1 Q99705 2/20 0.47
▸ TMEM97 Q5BJF2 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ SLC6A12 P48065 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL11142321 0.95 CARM1 (0.58) CARM1PRMT6SCN1ASCN5ASCN9A
SCHEMBL11138706 0.88 MCHR1 (0.55) CARM1PRMT6SCN1ASCN5ASCN9A
SCHEMBL11148320 0.86 ADIPOR2 (0.47) CARM1PRMT6SCN1ASCN5ASCN9A
Hydrochloric Acid SCHEMBL11255924 0.85 ADIPOR2 (0.46) CARM1PRMT6SCN1ASCN5ASCN9A
SCHEMBL11143476 0.84 ALDH1A1 (0.47) CARM1PRMT6SCN1ASCN5ASCN9A
Hydrochloric Acid SCHEMBL11144955 0.84 ADIPOR2 (0.45) CARM1PRMT6SCN1ASCN5ASCN9A
SCHEMBL11141846 0.84 ADIPOR2 (0.50) CARM1PRMT6CYP3A4MAPK1CYP2C19
SCHEMBL11144343 0.82 ADIPOR2 (0.48) CARM1PRMT6SCN1ASCN5ASCN9A
SCHEMBL11137457 0.82 ALDH1A1 (0.49) KMT2ACYP2C19
SCHEMBL11142374 0.81 ADIPOR2 (0.48) CARM1PRMT6SCN1ASCN5ASCN9A

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
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
EP-0052311-A1 1-((Benzoylphenyl) - lower-alkyl) piperidines and carbinol analogs and preparation thereof STERLING DRUG INC. (US) 1982-05-26 — — EP 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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