SCHEMBL8939300

SCHEMBL8939300

O=C(NCCc1ccc(F)cc1)OCC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.54
MGLL Q99685 1/20 0.53
POLB P06746 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 2/20 0.48
EPHX2 P34913 1/20 0.48
TSHR P16473 1/20 0.46
PPM1D O15297 1/20 0.46
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.44
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43

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
SCHEMBL8802747 0.77 LMNA (0.56) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29339723 0.76 KMT2A (0.70) TAAR1POLBRAB9ASMN1; SMN2MEN1
SCHEMBL4435567 0.75 TAAR1 (0.50) TAAR1POLBRAB9AEPHX2TSHR
SCHEMBL8801964 0.75 NOTUM (0.60)
SCHEMBL1928485 0.74 MGLL (0.44) MGLL
SCHEMBL4433149 0.73 TAAR1 (0.51) TAAR1POLBRAB9ASMN1; SMN2EPHX2
SCHEMBL8939304 0.73 MGLL (0.52) MGLLPOLBMEN1KMT2ALMNA
SCHEMBL8802984 0.73 NOTUM (0.60)
SCHEMBL23710544 0.72 TAAR1 (0.47) TAAR1POLBRAB9ASMN1; SMN2MEN1
SCHEMBL8802503 0.72 LMNA (0.61) MGLLRAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995026723-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS, INC. (US) 1995-10-12 WO claimed
US-5580878-A TREATING SLEEP DISORDERS INTERNEURON PHARMACEUTICALS, INC. (US) 1996-12-03 US disclosed
WO-1995026723-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS, INC. (US) 1995-10-12 WO disclosed
US-5403851-A Central nervous system and psychological disorders INTERNEURON PHARMACEUTICALS, INC. (US) 1995-04-04 US disclosed