SCHEMBL8489752

SCHEMBL8489752

Clc1ccc(OC[CH]Cc2ccccc2)c2cc[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.38
RHEB Q15382 1/20 0.36
DRD4 P21917 4/20 0.36
DRD3 P35462 4/20 0.36
DRD2 P14416 3/20 0.36
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LTA4H P09960 1/20 0.32
PLA2G2A P14555 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
ROCK2 O75116 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
ROCK1 Q13464 1/20 0.32
PARP14 Q460N5 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32

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
SCHEMBL18702895 0.82 GPR84 (0.47) GPR84RHEBL3MBTL1LTA4HPLA2G2A
SCHEMBL29503015 0.82 GPR84 (0.47) GPR84RHEBL3MBTL1LTA4HPLA2G2A
SCHEMBL8492022 0.79 LTA4H (0.34) LTA4HPLA2G2ATRPM8
SCHEMBL7207549 0.74 DRD4 (0.64) DRD4DRD3DRD2KMT2A
SCHEMBL8303606 0.73 LTA4H (0.46) GPR84L3MBTL1LTA4HPLA2G2ATRPM8
SCHEMBL7207553 0.71 GPR84 (0.41) GPR84RHEBKMT2AL3MBTL1
SCHEMBL8489756 0.71 PPARA (0.38) GPR84RHEBDRD4DRD3DRD2
SCHEMBL8489503 0.68 CDC7 (0.30) CDC7DBF4
SCHEMBL1013714 0.67 NR3C1 (0.40) RHEBKMT2AL3MBTL1
SCHEMBL8617142 0.67 MEN1 (0.30) KMT2AL3MBTL1

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