SCHEMBL8489756

SCHEMBL8489756

[CH2]C(Cc1ccccc1)Oc1ccc(Cl)c2[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.38
PPARG P37231 7/20 0.36
RHEB Q15382 1/20 0.36
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
DRD2 P14416 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
AHR P35869 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL8492026 0.79 PPARA (0.38) PPARAPPARG
SCHEMBL18702895 0.76 GPR84 (0.47) PPARGRHEBGPR84
SCHEMBL29503015 0.76 GPR84 (0.47) PPARGRHEBGPR84
SCHEMBL7207549 0.69 DRD4 (0.64) DRD4DRD3DRD2
SCHEMBL8303606 0.68 LTA4H (0.46) PPARGGPR84
SCHEMBL1013714 0.67 NR3C1 (0.40) RHEBAHR
SCHEMBL5360323 0.64 PPARG (0.47) PPARAPPARG
SCHEMBL8525385 0.64 IDO1 (0.56) DRD4DRD3DRD2ROCK2
SCHEMBL2599781 0.63 AHR (0.48) RHEBAHR
SCHEMBL12748351 0.60 HTR2A (0.41) RHEBAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958965-A TREATMENT OF DISEASES ATTENDING DISTURBANCES IN THE SEROTINERGIC SYSTEMS, SUCH AS ANXIETY, STRESS, DEPRESSION, SEXUAL DYSFUNCTIONS AND SLEEP DISTURBANCES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-09-28 US claimed
US-5958965-A TREATMENT OF DISEASES ATTENDING DISTURBANCES IN THE SEROTINERGIC SYSTEMS, SUCH AS ANXIETY, STRESS, DEPRESSION, SEXUAL DYSFUNCTIONS AND SLEEP DISTURBANCES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-09-28 US disclosed
US-5817690-A ANTIDOPAMINE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-10-06 US disclosed