SCHEMBL7953774

SCHEMBL7953774

O=C(NCc1ccccn1)c1c[c]ccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
LMNA P02545 3/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPK14 Q16539 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CA2 P00918 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HPGD P15428 5/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 2/20 0.51
ALOX15 P16050 1/20 0.51
GLA P06280 1/20 0.51

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
SCHEMBL7955827 0.86 RAB9A (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL166484 0.84 LMNA (0.82) POLBLMNANPC1RAB9AMEN1
SCHEMBL4628949 0.83 LMNA (0.60) POLBLMNANPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL27843329 0.82 LMNA (0.80) POLBLMNANPC1RAB9AMEN1
SCHEMBL7092527 0.80 POLB (0.56) POLBLMNANPC1RAB9AMEN1
SCHEMBL2551760 0.78 HDAC6 (0.57) LMNARAB9AKMT2AALDH1A1HPGD
SCHEMBL949170 0.78 LMNA (0.73) POLBLMNANPC1RAB9AMEN1
Benzamide SCHEMBL18171706 0.77 LMNA (0.72) POLBLMNANPC1RAB9AMEN1
SCHEMBL998521 0.77 NPC1 (0.63) POLBLMNANPC1RAB9AMEN1
SCHEMBL29415439 0.77 NPC1 (0.63) POLBLMNANPC1RAB9AMEN1

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-6235758-B1 CENTRAL NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US disclosed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
US-5990133-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed