SCHEMBL6583898

SCHEMBL6583898

COc1ccccc1CCC([NH])=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
TAAR1 Q96RJ0 1/20 0.55
CASP3 P42574 1/20 0.50
CASP7 P55210 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL30800373 0.85 MTNR1A (0.60) MTNR1AMTNR1BTAAR1CASP3CASP7
SCHEMBL7331644 0.85 MTNR1A (0.60) MTNR1AMTNR1BTAAR1CASP3CASP7
SCHEMBL4684922 0.85 CA12 (0.51) KMT2AMEN1
SCHEMBL266525 0.84 MTNR1A (0.63) MTNR1AMTNR1BTAAR1CASP3CASP7
SCHEMBL30365164 0.84 MTNR1A (0.63) MTNR1AMTNR1BTAAR1CASP3CASP7
SCHEMBL29590071 0.84 LMNA (0.59) MTNR1AMTNR1BTAAR1
SCHEMBL362209 0.84 LMNA (0.59) MTNR1AMTNR1BTAAR1
SCHEMBL4685283 0.83 L3MBTL1 (0.53) KMT2AMEN1
SCHEMBL4743195 0.82 MTNR1A (0.57) MTNR1AMTNR1BTAAR1CASP3CASP7
SCHEMBL2437293 0.82 TAAR1 (0.59) MTNR1AMTNR1BTAAR1CASP3CASP7

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-0865430-B1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS ASTRAZENECA AB (SE) 2004-03-03 EP claimed
EP-0865430-A1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS AstraZeneca AB (SE) 1998-09-23 EP claimed
WO-1997019060-A1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1997-05-29 WO claimed
EP-0865430-B1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS ASTRAZENECA AB (SE) 2004-03-03 EP disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed
US-6090824-A Therapeutic neurokinin receptor antagonist compounds ZENECA LIMITED (GB) 2000-07-18 US disclosed
EP-0865430-A1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS AstraZeneca AB (SE) 1998-09-23 EP disclosed
WO-1997019060-A1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1997-05-29 WO disclosed