SCHEMBL7403129

SCHEMBL7403129

O=C(CCCCCN1CCC(CCO)CC1)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 2/20 0.49
▸ GNAO1 P09471 2/20 0.49
▸ GNAI1 P63096 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ACHE P22303 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ ITGB3 P05106 2/20 0.43
▸ ITGA2B P08514 2/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ HTR7 P34969 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 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
SCHEMBL7400559 0.99 L3MBTL1 (0.47) GNAI3GNAO1GNAI1L3MBTL1MEN1
SCHEMBL7444832 0.93 GNAI3 (0.50) GNAI3GNAO1GNAI1L3MBTL1MEN1
SCHEMBL7455560 0.83 HRH3 (0.57) GNAO1ACHEHRH3ALDH1A1MAPT
SCHEMBL7399772 0.80 GNAO1 (0.40) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL7404241 0.80 ALDH1A1 (0.57) KMT2ATDP1HTR7ALDH1A1
SCHEMBL7401091 0.80 ALDH1A1 (0.57) KMT2ATDP1HTR7ALDH1A1
SCHEMBL4666488 0.78 HRH3 (0.58) GNAO1MEN1KMT2AACHEHRH3
SCHEMBL4664118 0.77 HRH3 (0.56) GNAO1MEN1KMT2AACHEHRH3
SCHEMBL22223262 0.77 GNAI3 (0.54) GNAI3GNAO1GNAI1ACHEITGB3
SCHEMBL22223257 0.77 GNAI3 (0.74) GNAI3GNAO1GNAI1L3MBTL1MEN1

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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