SCHEMBL8801964

SCHEMBL8801964

O=C(NCCc1c[nH]c2ccc(F)cc12)OCC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.60
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
SPR P35270 2/20 0.58
TRPV1 Q8NER1 1/20 0.52
MPO P05164 8/20 0.51
SLC6A4 P31645 3/20 0.51
SNCA P37840 1/20 0.50
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL8802984 0.98 NOTUM (0.60) NOTUMMTNR1AMTNR1BSPRTRPV1
SCHEMBL8802739 0.81 NOTUM (0.65) NOTUMMTNR1AMTNR1BSPRTRPV1
SCHEMBL8802296 0.80 FAAH (0.63) MTNR1AKDM4EMAPT
SCHEMBL8802151 0.79 TRPM8 (0.66) NOTUMMTNR1AMTNR1BSPRTRPV1
SCHEMBL8194888 0.77 NOTUM (0.70) NOTUMMTNR1AMTNR1BSPRTRPV1
SCHEMBL20242784 0.77 NOTUM (0.78) NOTUMMTNR1AMTNR1BSPRTRPV1
SCHEMBL14077525 0.76 NOTUM (0.72) NOTUMMTNR1AMTNR1BSPRTRPV1
SCHEMBL4852117 0.76 FAAH (0.74) NOTUMMTNR1AMTNR1BSPRTRPV1
SCHEMBL4512654 0.76 MTNR1A (1.00) NOTUMMTNR1AMTNR1BSPRMPO
SCHEMBL17437585 0.76 MTNR1A (0.61) NOTUMMTNR1AMTNR1BSPRTRPV1

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