SCHEMBL9027878

SCHEMBL9027878

CN1CCN(C(=O)/C=C2\c3ccccc3N(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)CCC2(F)F)CC1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.80
AVPR1A P37288 14/20 0.80
AVPR1B P47901 4/20 0.61
OXTR P30559 2/20 0.61

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
SCHEMBL8671951 1.00 AVPR2 (0.80) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9028517 0.99 AVPR2 (0.78) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9028445 0.99 AVPR2 (0.78) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9028456 0.99 AVPR2 (0.78) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9029305 0.94 AVPR2 (0.71) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9029312 0.94 AVPR2 (0.71) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9029861 0.92 AVPR2 (0.68) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9029878 0.92 AVPR2 (0.68) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9029517 0.91 AVPR2 (0.75) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9029509 0.91 AVPR2 (0.75) AVPR2AVPR1AAVPR1BOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716083-A1 BENZAZEPINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE FOR THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-06-12 EP claimed
EP-0716083-A1 BENZAZEPINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE FOR THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-06-12 EP disclosed