SCHEMBL10465356

SCHEMBL10465356

[CH2]C(C)(C)CN1CCN(CCN2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
PSMB1 P20618 2/20 0.35
PSMB5 P28074 2/20 0.35
PSMB2 P49721 2/20 0.35
CYP1A2 P05177 1/20 0.34
HTR7 P34969 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL15387223 0.91 HRH3 (0.36) HRH3ALDH1A1POLBMAPTCARM1
SCHEMBL1515334 0.91 HRH3 (0.36) HRH3ALDH1A1POLBMAPTCARM1
SCHEMBL6075113 0.89 CARM1 (0.33) HRH3ALDH1A1POLBMAPTCARM1
SCHEMBL1042570 0.79 HTT (0.39) ALDH1A1MAPTSIGMAR1
SCHEMBL10465693 0.78 ALDH1A1 (0.43) ALDH1A1POLB
SCHEMBL10465355 0.76 SIGMAR1 (0.32) SIGMAR1
SCHEMBL15387288 0.75 ALDH1A1 (0.35) ALDH1A1POLBMAPT
SCHEMBL10466010 0.74 ALDH1A1 (0.61) ALDH1A1POLBMAPTL3MBTL1
SCHEMBL12677484 0.73 HRH3 (0.44) HRH3ALDH1A1POLBMAPTCARM1
SCHEMBL1430804 0.73 ALDH1A1 (0.39) ALDH1A1SIGMAR1CYP1A2

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
US-4937242-A CALCIUM ANTAGONISTS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-06-26 US claimed
US-4937242-A CALCIUM ANTAGONISTS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-06-26 US disclosed