Phosphoric Acid

Phosphoric Acid

SCHEMBL7866262

CCN1CCC(c2c[nH]c3cccc(NC=O)c23)CC1.O=P(O)(O)O

nearest known ligand 0.48

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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 20)

geneUniProtsupporting neighboursconfidence
KCNH2 known ✓ Q12809 2/20 0.39
HTR1F P30939 2/20 0.48
HTR2A P28223 6/20 0.39
HTR7 P34969 5/20 0.39
DRD2 P14416 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CCR2 P41597 6/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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 SCHEMBL7866333 0.84 OPRL1 (0.42) HTR1FHTR2AHTR7DRD2KCNH2
Phosphoric Acid SCHEMBL7864985 0.80 DRD2 (0.42) HTR1FHTR2ADRD2HDAC8HDAC6
Phosphoric Acid SCHEMBL8106409 0.78 HTR1F (0.41) HTR1FHTR2AKDM4EALDH1A1
Phosphoric Acid SCHEMBL7867945 0.78 HTR1D (0.53) HTR1FDRD2
Phosphoric Acid SCHEMBL7865116 0.78 DRD2 (0.48) HTR1FHTR2AHTR7DRD2KCNH2
Phosphoric Acid SCHEMBL7867331 0.78 PARP1 (0.36) KDM4EALDH1A1
SCHEMBL7867335 0.77 HTR2A (0.36) HTR2AKDM4EALDH1A1
Phosphoric Acid SCHEMBL7866413 0.76 DRD2 (0.42) HTR2ADRD2NOS3NOS1KDM4E
Phosphoric Acid SCHEMBL7870918 0.75 KDM4E (0.53) HTR1FHTR2ADRD2KDM4E
Phosphoric Acid SCHEMBL7870844 0.73 KDM4E (0.34) HTR1FHDAC1KDM4EBRD4ALDH1A1

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