Phosphoric Acid

Phosphoric Acid

SCHEMBL7868050

CCN1CC=C(c2c[nH]c3ccc(NC=O)cc23)CC1.O=P(O)(O)O

nearest known ligand 0.61

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Phosphoric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.46
OPRK1 known ✓ P41145 1/20 0.46
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
ALOX15 P16050 1/20 0.56
HTR1F P30939 2/20 0.51
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
HTR2A P28223 1/20 0.46

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
Phosphoric Acid SCHEMBL7865145 0.92 LMNA (0.56) KDM4ELMNAALOX15HTR1FHTR1A
SCHEMBL8797612 0.87 KDM4E (0.61) KDM4ELMNAALOX15HTR1FHTR1A
Phosphoric Acid SCHEMBL7859763 0.81 HTR1F (0.42) KDM4ELMNAALOX15HTR1F
Phosphoric Acid SCHEMBL7864828 0.81 KDM4E (0.37) KDM4ELMNAALOX15HTR1FDRD2
SCHEMBL7485434 0.80 KDM4E (0.60) KDM4ELMNAALOX15HTR1FHTR1A
SCHEMBL9039171 0.80 NOS3 (0.65) KDM4ELMNAALOX15HTR1FHTR1A
Phosphoric Acid SCHEMBL7868039 0.79 HTR1D (0.38) KDM4ELMNAALOX15HTR1FDRD2
Phosphoric Acid SCHEMBL7866421 0.79 KDM4E (0.53) KDM4ELMNAALOX15HTR1FHTR1A
Phosphoric Acid SCHEMBL7870918 0.79 KDM4E (0.53) KDM4ELMNAALOX15HTR1FHTR1A
SCHEMBL7859767 0.79 HTR6 (0.42) KDM4ELMNAALOX15HTR1FHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed