SCHEMBL10540767

SCHEMBL10540767

COc1ccc(C(=O)CCCN2CCC(C)CC2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ CHRM2 P08172 1/20 0.64
▸ HTR1A P08908 1/20 0.64
▸ ADRA2A P08913 1/20 0.64
▸ DRD1 P21728 1/20 0.64
▸ ADRA1A P35348 1/20 0.64
▸ OPRM1 P35372 1/20 0.64
▸ DRD3 P35462 1/20 0.64
▸ KCNH2 Q12809 1/20 0.64
▸ HRH3 Q9Y5N1 1/20 0.64
▸ CTNNB1 P35222 1/20 0.51
▸ WNT3A P56704 1/20 0.51
▸ PDE4A P27815 2/20 0.50
▸ PDE4B Q07343 2/20 0.50
▸ PDE4C Q08493 2/20 0.50
▸ PDE4D Q08499 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM2B Q8NHM5 1/20 0.50

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
SCHEMBL10541216 0.93 KMT2A (0.69) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL10540209 0.90 KMT2A (0.60) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL10542211 0.90 KMT2A (0.60) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL10540283 0.88 KMT2A (0.58) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL10541405 0.86 KMT2A (0.61) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL10538162 0.86 KMT2A (0.56) KMT2AMEN1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL10824127 0.84 DRD2 (0.64) KMT2AKDM4EALDH1A1CYP2J2DRD2
SCHEMBL10538477 0.83 KMT2A (0.54) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL10540175 0.83 KMT2A (0.58) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL10539191 0.82 KMT2A (0.54) KMT2AMEN1CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346367-A1 ARYL- AND ARYLOXY-SUBSTITUTED TERT.-ALKYLENAMINES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE IN PHARMACY SCHERING AKTIENGESELLSCHAFT (DE) 1989-12-20 — — EP disclosed
WO-1988006580-A1 ARYL- AND ARYLOXY-SUBSTITUTED TERT.-ALKYLENAMINES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE IN PHARMACY SCHERING AKTIENGESELLSCHAFT (DE) 1988-09-07 — — WO disclosed
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