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SCHEMBL6989965

SCHEMBL6989965

O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 5/20 0.60
▸ AVPR1B P47901 3/20 0.49
▸ LMNA P02545 1/20 0.44
▸ CSF1R P07333 1/20 0.43
▸ AVPR2 P30518 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ OXTR P30559 1/20 0.42

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
SCHEMBL6994643 0.93 AVPR1A (0.66) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6992930 0.89 AVPR1A (0.63) AVPR1AAVPR1BLMNA
SCHEMBL6989817 0.86 AVPR1A (0.66) AVPR1AAVPR1B
SCHEMBL6992664 0.86 AVPR1A (0.63) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6992772 0.86 AVPR1A (0.63) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6992887 0.85 AVPR1A (0.60) AVPR1AAVPR1BLMNAAVPR2
SCHEMBL6991577 0.85 AVPR1A (0.68) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6987519 0.84 AVPR1A (0.63) AVPR1AAVPR1BLMNAAVPR2OXTR
SCHEMBL6991376 0.83 AVPR1A (0.60) AVPR1AAVPR1BLMNAAVPR2OXTR
SCHEMBL6990890 0.83 AVPR1A (0.66) AVPR1AAVPR1BAVPR2OXTR

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-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 — — EP disclosed