SCHEMBL8097614

SCHEMBL8097614

CN1CCC(c2c[nH]c3ccc(-c4cncnc4)cc23)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
ATM Q13315 1/20 0.58
HTR1B P28222 5/20 0.53
HTR1D P28221 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
THPO P40225 1/20 0.53
DRD2 P14416 2/20 0.48
APP P05067 1/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48

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
SCHEMBL8099607 0.86 PIM1 (0.45) KDM4EATMHTR1BHTR1DCYP1A2
SCHEMBL8099792 0.84 GABRP (0.47) KDM4EATMHTR1BHTR1DCYP1A2
SCHEMBL8091126 0.84 GABRP (0.56) KDM4EATMHTR1BHTR1DCYP1A2
SCHEMBL8784248 0.81 KDM4E (0.57) KDM4EATMHTR1BHTR1DCYP1A2
SCHEMBL8686333 0.81 KDM4E (0.57) KDM4EATMHTR1BHTR1DCYP1A2
SCHEMBL7017239 0.81 DRD2 (0.59) KDM4EATMHTR1BHTR1DCYP1A2
SCHEMBL8474262 0.80 KDM4E (0.56) KDM4EATMHTR1BHTR1DCYP1A2
SCHEMBL8508491 0.79 KDM4E (0.68) KDM4EATMHTR1BHTR1DCYP1A2
SCHEMBL8090606 0.78 KDM4E (0.54) KDM4EATMHTR1BHTR1DCYP1A2
SCHEMBL29206549 0.78 KDM4E (0.67) KDM4EATMHTR1BHTR1DCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093822-A 5-arylindole derivatives PFIZER INC. (US) 2000-07-25 US claimed
EP-0716649-B1 5-ARYLINDOLE DERIVATIVES PFIZER (US) 1998-09-09 EP claimed
CN-1129933-A 5-arylindole derivatives PFIZER (US) 1996-08-28 CN claimed
US-6093822-A 5-arylindole derivatives PFIZER INC. (US) 2000-07-25 US disclosed
US-5994352-A 5-arylindole derivatives PFIZER INC. (US) 1999-11-30 US disclosed
US-5942524-A 5-arylindole derivatives PFIZER INC. (US) 1999-08-24 US disclosed
US-5849739-A 5-arylindole derivatives PFIZER INC. (US) 1998-12-15 US disclosed
EP-0716649-B1 5-ARYLINDOLE DERIVATIVES PFIZER (US) 1998-09-09 EP disclosed
CN-1129933-A 5-arylindole derivatives PFIZER (US) 1996-08-28 CN disclosed
WO-1995006636-A1 5-ARYLINDOLE DERIVATIVES PFIZER INC. (US) 1995-03-09 WO disclosed