SCHEMBL7418636

SCHEMBL7418636

O=C(O)CCN1CCC(N2CCN(c3ccc4c(c3)CCNCC4)C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.44
F10 P00742 6/20 0.42
F2 P00734 5/20 0.42
ACHE P22303 1/20 0.42
KHK P50053 5/20 0.41
HTR6 P50406 6/20 0.41
PRSS1 P07477 3/20 0.39

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
Hydrochloric Acid SCHEMBL8558141 0.99 MCHR1 (0.43) MCHR1F10F2ACHEKHK
SCHEMBL7473162 0.90 F10 (0.43) MCHR1F10F2KHKPRSS1
Hydrochloric Acid SCHEMBL7422325 0.89 F10 (0.43) MCHR1F10F2ACHEKHK
Hydrochloric Acid SCHEMBL8561724 0.89 F10 (0.43) MCHR1F10F2KHKPRSS1
SCHEMBL7471852 0.86 ACHE (0.46) MCHR1F10F2ACHEKHK
SCHEMBL7471860 0.86 ACHE (0.46) MCHR1F10F2ACHEKHK
Hydrochloric Acid SCHEMBL8558247 0.85 ACHE (0.46) MCHR1F10F2ACHEKHK
Hydrochloric Acid SCHEMBL7471534 0.83 F2 (0.42) MCHR1F10F2ACHEKHK
Hydrochloric Acid SCHEMBL7470901 0.82 F10 (0.39) F10F2ACHEPRSS1
Hydrochloric Acid SCHEMBL8560707 0.82 ACHE (0.43) MCHR1F10F2ACHEKHK

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
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP claimed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO claimed
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed