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SCHEMBL7414955

SCHEMBL7414955

CN(C)C1CCN(C(=O)C=C2c3ccccc3N(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)CCC2(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 18/20 1.00
▸ AVPR1A P37288 16/20 1.00
▸ AVPR1B P47901 2/20 0.64
▸ OXTR P30559 2/20 0.64

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
SCHEMBL7414954 1.00 AVPR2 (1.00) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL3503341 0.99 AVPR2 (0.99) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL3503338 0.99 AVPR2 (0.99) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9028914 0.91 AVPR1A (0.84) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9028922 0.91 AVPR1A (0.84) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9029650 0.91 AVPR2 (0.83) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9029637 0.91 AVPR2 (0.83) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL9028471 0.90 AVPR2 (0.82) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9028502 0.90 AVPR2 (0.82) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL9028478 0.90 AVPR2 (0.82) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999055340-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING IN COMBINATION AN ARGININE-VASOPRESSIN V1a ANTAGONIST AND AN ANGIOTENSIN II AT1 RECEPTOR ANTAGONIST SANOFI-SYNTHELABO (FR) 1999-11-04 — — WO disclosed