SCHEMBL10576172

SCHEMBL10576172

CN(C)CCC(C(=O)N1CCCC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 8/20 0.51
▸ HTR1A P08908 1/20 0.50
▸ HTR1D P28221 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ HTR2A P28223 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ DPP7 Q9UHL4 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ UBE2N P61088 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL10575998 0.99 HTR1A (0.52) CHRM1HTR1AHTR1DHTR2BHTR2A
SCHEMBL8761642 0.84 DPP7 (0.58) CHRM1HTR1AHTR1DHTR2BGAA
SCHEMBL9910968 0.83 KCNQ2 (0.56) CHRM1HTR1AHTR1DHTR2BGAA
SCHEMBL8761484 0.80 HTR1A (0.53) CHRM1HTR1AHTR1DHTR2BGAA
SCHEMBL8405067 0.80 HTR1A (0.53) CHRM1HTR1AHTR1DHTR2BGAA
SCHEMBL1589765 0.79 HTR1A (0.53) CHRM1HTR1AHTR1DHTR2BGAA
SCHEMBL10576544 0.79 HTR2A (0.60) CHRM1HTR2AHRH1GAAALDH1A1
SCHEMBL8655841 0.79 HTR1A (0.52) CHRM1HTR1AHTR1DHTR2BGAA
SCHEMBL8761469 0.78 EPHX2 (0.52) CHRM1HTR1AHTR1DHTR2BHTR2A
SCHEMBL3596195 0.78 CHRM1 (0.55) CHRM1GAAALDH1A1EPHX2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4847301-A Methods of use of α-(aminoalkyl)-arylacetic acid derivatives PENNWALT CORPORATION (US) 1989-07-11 — — US disclosed
US-4783537-A CARDIOVASCULAR DISORDERS PENNWALT CORPORATION (US) 1988-11-08 — — US disclosed
EP-0222099-A2 Alpha-(Aminoalkyl)-Arylacetic Acid Derivatives FISONS CORPORATION (a Massachusetts corporation) (US) 1987-05-20 — — EP disclosed
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