SCHEMBL8303697

SCHEMBL8303697

O=CCN(C(=O)C1CCCCC1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
ACHE P22303 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
NR1H4 Q96RI1 2/20 0.44
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
MAPT P10636 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
CCR5 P51681 2/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL8303076 0.85 CNR2 (0.45) HTTACHESMN1; SMN2LMNANR1H4
SCHEMBL157266 0.83 HTT (0.63) HTTACHESMN1; SMN2LMNANR1H4
SCHEMBL7141111 0.83 HTT (0.63) HTTACHESMN1; SMN2LMNANR1H4
SCHEMBL8296750 0.82 CNR2 (0.55) HTTACHESMN1; SMN2LMNANR1H4
SCHEMBL9682555 0.82 HTT (0.46) HTTSMN1; SMN2LMNAKDM4EMEN1
SCHEMBL9682559 0.82 HTT (0.46) HTTSMN1; SMN2LMNAKDM4EMEN1
SCHEMBL9682564 0.82 HTT (0.46) HTTSMN1; SMN2LMNAKDM4EMEN1
SCHEMBL2724136 0.81 HTT (0.71) HTTACHESMN1; SMN2LMNANR1H4
SCHEMBL8297213 0.81 SMN1; SMN2 (0.48) ACHESMN1; SMN2NR1H4CNR2CNR1
SCHEMBL3482861 0.81 HTT (0.65) HTTACHESMN1; SMN2LMNANR1H4

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-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO disclosed