SCHEMBL8086760

SCHEMBL8086760

[CH2]COc1ccc(-c2cn3ccsc3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.68
NPC1 O15118 9/20 0.68
RAB9A P51151 9/20 0.68
MAPT P10636 7/20 0.68
NFKB1 P19838 3/20 0.68
NFKB2 Q00653 3/20 0.68
RELA Q04206 3/20 0.68
TP53 P04637 11/20 0.52
RXFP1 Q9HBX9 1/20 0.52
POLB P06746 1/20 0.51
HPGD P15428 4/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7318618 0.84 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL8085594 0.83 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL3426740 0.81 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL31031084 0.80 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL29740239 0.78 NPC1 (0.68) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL7319653 0.77 HRH3 (0.66) SMN1; SMN2NPC1RAB9AMAPTNFKB1
Hydrochloric Acid SCHEMBL7307734 0.76 HRH3 (0.65) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL12692485 0.76 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL4147815 0.76 NPC1 (0.66) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL1728599 0.76 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AMAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103724-A EXHIBIT MAINLY ANTIPSYCHOTIC EFFECTS, E.G., SCHIZOPHRENIA, ORGANIC MENTAL DISORDERS, AFFECTIVE DISORDERS, ANXIETY, PERSONALITY DISORDERS; NEUROLEPTIC ACTIVITIY; ATYPICAL ANTIPSYCHOTICS, COGNITION ACTIVATORS, ANTIDEPRESSANTS; RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2000-08-15 US disclosed
EP-0935599-A1 2-METHOXYPHENYLPIPERAZINE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1999-08-18 EP disclosed
WO-1998018797-A1 2-METHOXYPHENYLPIPERAZINE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 1998-05-07 WO disclosed