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SCHEMBL8944504

SCHEMBL8944504

CCc1cc(C(=O)O)n2c1CN(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C)c1)c1ccccc1C2

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 11/20 0.52
▸ AVPR1A P37288 8/20 0.52
▸ TP53 P04637 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ OXTR P30559 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40

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
SCHEMBL7339753 0.81 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL7355406 0.79 AVPR2 (0.57) AVPR2AVPR1ATP53NPC1RAB9A
SCHEMBL7333936 0.79 AVPR2 (0.81) AVPR2AVPR1AOXTR
SCHEMBL8312651 0.73 AVPR2 (0.72) AVPR2AVPR1AOXTR
SCHEMBL8313226 0.72 AVPR2 (0.70) AVPR2AVPR1AOXTR
SCHEMBL7337720 0.72 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL7333306 0.71 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL7331851 0.71 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL8314271 0.71 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL8559006 0.70 AVPR2 (0.75) AVPR2AVPR1AALDH1A1

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
US-5516774-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-05-14 — — US disclosed