SCHEMBL7400559

SCHEMBL7400559

O=C(CCCCN1CCC(CCO)CC1)N1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ GNAI3 P08754 2/20 0.47
▸ GNAO1 P09471 2/20 0.47
▸ GNAI1 P63096 2/20 0.47
▸ ACHE P22303 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ ITGB3 P05106 2/20 0.44
▸ ITGA2B P08514 2/20 0.44
▸ HSD11B1 P28845 1/20 0.43
▸ HTR7 P34969 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ PDCD1 Q15116 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL7403129 0.99 GNAI3 (0.49) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL7444832 0.94 GNAI3 (0.50) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL7455560 0.81 HRH3 (0.57) GNAO1ACHEHRH3SIGMAR1
SCHEMBL4666488 0.80 HRH3 (0.58) MEN1KMT2AGNAO1ACHEHRH3
SCHEMBL7401091 0.78 ALDH1A1 (0.57) KMT2ATDP1HTR7SIGMAR1
SCHEMBL7404241 0.78 ALDH1A1 (0.57) KMT2ATDP1HTR7SIGMAR1
SCHEMBL4664118 0.78 HRH3 (0.56) MEN1KMT2AGNAO1ACHEHRH3
SCHEMBL7399772 0.78 GNAO1 (0.40) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL7371370 0.77 ATM (0.59) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL22940447 0.77 ATM (0.59) L3MBTL1MEN1KMT2ATDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995024390-A1 NOVEL PHENYL(-ALKYL/ALKOXY)-1-AMINOALKYL-SUBSTITUTED PIPERIDINES AND PYRROLIDINES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-09-14 — — WO disclosed
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