SCHEMBL7969400

SCHEMBL7969400

OC1CCC(c2cccc(F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.47
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MLYCD O95822 1/20 0.40
PARP10 Q53GL7 1/20 0.40
HDAC4 P56524 1/20 0.40
SCD5 Q86SK9 1/20 0.40
DRD4 P21917 1/20 0.40
NPC1 O15118 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
SCHEMBL9196040 1.00 TRPV1 (0.47) TRPV1HTR2AHTR2CHTR2BMLYCD
SCHEMBL7969391 1.00 TRPV1 (0.47) TRPV1HTR2AHTR2CHTR2BMLYCD
SCHEMBL9196045 1.00 TRPV1 (0.47) TRPV1HTR2AHTR2CHTR2BMLYCD
SCHEMBL7969397 1.00 TRPV1 (0.47) TRPV1HTR2AHTR2CHTR2BMLYCD
SCHEMBL21731473 0.90 CNR2 (0.43) TRPV1HTR2AHTR2CHTR2BHDAC4
SCHEMBL22321372 0.89 ESR2 (0.47) TRPV1HTR2AHTR2CHTR2BMLYCD
SCHEMBL731258 0.89 ESR2 (0.47) TRPV1HTR2AHTR2CHTR2BMLYCD
SCHEMBL1515236 0.82 HTR2C (0.47) HTR2AHTR2CHTR2BMLYCDPARP10
SCHEMBL29878889 0.82 HTR2C (0.47) HTR2AHTR2CHTR2BMLYCDPARP10
SCHEMBL23363446 0.79 KDM1A (0.49) HTR2AHTR2CHTR2BHDAC4DRD4

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
US-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 US disclosed
EP-0559743-B1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER (US) 1995-03-08 EP disclosed
EP-0559743-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE. PFIZER HOSPITAL PROD (US) 1993-09-15 EP disclosed
WO-1992009566-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER INC. (US) 1992-06-11 WO disclosed