SCHEMBL9028019

SCHEMBL9028019

CCCNC(=O)C=C1c2ccccc2N(C(=O)c2ccc(NC(=O)c3ccccc3OCC)cc2)CCC1(F)F

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.54
AVPR1A P37288 11/20 0.54
OXTR P30559 1/20 0.51
AVPR1B P47901 1/20 0.51
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL9028009 1.00 AVPR2 (0.54) AVPR2AVPR1AOXTRAVPR1BRAB9A
SCHEMBL9028044 0.94 AVPR2 (0.55) AVPR2AVPR1AOXTRAVPR1BRAB9A
SCHEMBL9028034 0.94 AVPR2 (0.55) AVPR2AVPR1AOXTRAVPR1BRAB9A
Hydrochloric Acid SCHEMBL9028875 0.92 AVPR1A (0.56) AVPR2AVPR1AOXTRAVPR1BRAB9A
Hydrochloric Acid SCHEMBL9028867 0.92 AVPR1A (0.56) AVPR2AVPR1AOXTRAVPR1BRAB9A
SCHEMBL9028741 0.92 AVPR2 (0.56) AVPR2AVPR1AOXTRAVPR1BRAB9A
SCHEMBL9028749 0.92 AVPR2 (0.56) AVPR2AVPR1AOXTRAVPR1BRAB9A
SCHEMBL9028739 0.91 AVPR2 (0.58) AVPR2AVPR1AOXTRAVPR1BRAB9A
SCHEMBL8673863 0.91 AVPR2 (0.58) AVPR2AVPR1AOXTRAVPR1BRAB9A
SCHEMBL8674009 0.90 AVPR2 (0.56) AVPR2AVPR1AOXTRAVPR1BRAB9A

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 1 patent. 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 disclosed