SCHEMBL9857787

SCHEMBL9857787

O=C(O)Oc1[nH]cc(-c2ccc(Cl)cc2)c1N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.37
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
LIPE Q05469 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
AKR1C3 P42330 1/20 0.35
HTT P42858 1/20 0.35
ADORA1 P30542 1/20 0.34
NOTUM Q6P988 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8919988 0.81 HPGD (0.42) CNR1HPGDMAPTRAB9APOLB
SCHEMBL9858064 0.77 ALDH1A1 (0.57) HPGDMAPTRAB9APOLBALDH1A1
SCHEMBL9857856 0.76 ALDH1A1 (0.60) HPGDMAPTRAB9APOLBALDH1A1
SCHEMBL9858266 0.76 ALDH1A1 (0.48) HPGDMAPTRAB9APOLBALDH1A1
SCHEMBL9858082 0.75 ALDH1A1 (0.48) HPGDMAPTLIPEPOLBALDH1A1
SCHEMBL8546577 0.75 ALDH1A1 (0.36) HPGDLIPEPOLBALDH1A1HSD17B10
SCHEMBL9857274 0.75 ALDH1A1 (0.47) HPGDMAPTPOLBALDH1A1HSD17B10
SCHEMBL9858268 0.73 ALDH1A1 (0.56) HPGDMAPTLIPERAB9APOLB
SCHEMBL9857315 0.72 ALDH1A1 (0.55) HPGDMAPTALDH1A1HSD17B10ALOX15
SCHEMBL9133694 0.68 ALOX15 (0.43) HPGDPOLBALDH1A1HSD17B10ALOX15

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
EP-0431371-A1 3-Aminopyrroles, process for this preparation and their use as medicaments ARZNEIMITTELWERK DRESDEN GmbH (DE) 1991-06-12 EP claimed