SCHEMBL8803161

SCHEMBL8803161

O=C(Cc1ccc(F)cc1)NCCc1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.61
▸ EPHX2 P34913 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ CA12 O43570 1/20 0.59
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ CA9 Q16790 1/20 0.59
▸ SRC P12931 1/20 0.59
▸ LMNA P02545 1/20 0.58
▸ RAB9A P51151 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ TAAR1 Q96RJ0 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CNR1 P21554 1/20 0.53

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
SCHEMBL8802955 0.93 ALDH1A1 (0.69) LTA4HEPHX2ALDH1A1HPGDMEN1
SCHEMBL8803541 0.86 LTA4H (0.79) LTA4HEPHX2ALDH1A1HPGDMEN1
SCHEMBL8802829 0.86 CA12 (0.75) LTA4HEPHX2ALDH1A1HPGDKMT2A
SCHEMBL27772480 0.84 WNT3A (0.53) LTA4HEPHX2MEN1KMT2ACA12
SCHEMBL23973860 0.83 CNR1 (0.60) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL27793696 0.82 SMN1; SMN2 (0.53) LTA4HEPHX2ALDH1A1HPGDMEN1
SCHEMBL14241863 0.82 MTNR1A (0.67) HPGDTAAR1TP53CNR1
SCHEMBL538601 0.81 SRC (0.87) ALDH1A1MEN1KMT2ASMN1; SMN2CA12
Hydrochloric Acid SCHEMBL27794148 0.81 SMN1; SMN2 (0.52) LTA4HEPHX2ALDH1A1HPGDMEN1
SCHEMBL28781962 0.81 SRC (0.58) LTA4HEPHX2ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754041-A4 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMA (US) 1997-11-19 — — EP claimed
EP-0754041-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS INCORPORATED (US) 1997-01-22 — — EP claimed
WO-1995026723-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS, INC. (US) 1995-10-12 — — WO claimed
EP-0754041-A4 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMA (US) 1997-11-19 — — EP disclosed
EP-0754041-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS INCORPORATED (US) 1997-01-22 — — EP disclosed
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
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