SCHEMBL20725799

SCHEMBL20725799

O=C(CN1CCCC1)NCCNc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
CNR1 P21554 1/20 0.53
HPGD P15428 2/20 0.53
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 3/20 0.51
THRB P10828 1/20 0.51
NPC1 O15118 1/20 0.50
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 2/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL20725809 0.86 ALDH1A1 (0.67) ALDH1A1HPGDGAAKDM4ETHRB
SCHEMBL21484730 0.78 TEAD1 (0.56) ALDH1A1CNR1GAASMN1; SMN2NPC1
SCHEMBL9615508 0.77 L3MBTL1 (0.62) ALDH1A1HPGDGAASMN1; SMN2NPC1
SCHEMBL10891769 0.73 CNR1 (0.59) ALDH1A1CNR1GAASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL29531112 0.73 CNR1 (0.59) ALDH1A1CNR1GAASMN1; SMN2KDM4E
SCHEMBL9372120 0.71 KMT2A (0.42) ALDH1A1CNR1GAASMN1; SMN2NPC1
SCHEMBL9639726 0.70 MAPT (0.55) ALDH1A1HPGDGAANPC1MAPT
SCHEMBL22834152 0.70 CNR1 (1.00) ALDH1A1CNR1SMN1; SMN2MAPTLMNA
SCHEMBL22407656 0.69 KDM4E (0.63) ALDH1A1HPGDGAAKDM4ETHRB
SCHEMBL22407647 0.69 KDM4E (0.63) ALDH1A1HPGDGAAKDM4ETHRB

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-3552664-A1 PROTEOSTASIS REGULATORS Proteostasis Therapeutics, Inc. (US) 2019-10-16 EP disclosed
EP-2707101-B1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS INC (US) 2019-02-13 EP disclosed