SCHEMBL11084665

SCHEMBL11084665

CC1CC(C2CC(c3ccccc3)=CCN2)Cc2c1[nH]c1ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR6 P50406 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2D6 P10635 2/20 0.38
HTR7 P34969 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPKAPK2 P49137 1/20 0.36
CHRNA7 P36544 1/20 0.36
GRIN2B Q13224 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SSTR3 P32745 2/20 0.35

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
SCHEMBL11086889 0.92 SSTR3 (0.37) MEN1KMT2ACYP2D6HTR7CYP3A4
SCHEMBL11085886 0.92 PDE5A (0.36) HTR2CMEN1KMT2ACYP2D6HTR7
SCHEMBL11081951 0.92 ESR1 (0.40) MEN1KMT2ACHRNA7ALDH1A1SSTR3
SCHEMBL11089610 0.90 ADRA1A (0.41) MEN1KMT2AHTR7KDM4ETSHR
SCHEMBL11093337 0.90 HTR7 (0.43) HTR6MEN1KMT2ACYP2D6HTR7
SCHEMBL11082615 0.89 HTR2C (0.37) HTR2CMEN1KMT2A
SCHEMBL11092628 0.89 DRD2 (0.41) MEN1KMT2AHTR7KDM4ETSHR
SCHEMBL11083470 0.89 SSTR3 (0.39) HTR2AHTR2CMEN1KMT2AKDM4E
SCHEMBL11084625 0.89 RB1 (0.38) HTR2AHTR2CHTR6MEN1KMT2A
SCHEMBL11082610 0.88 HTR7 (0.45) KMT2AHTR7MAPKAPK2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0115607-A1 Tetrahydrocarbazol derivatives MERCK PATENT GmbH (DE) 1984-08-15 EP claimed
EP-0115607-A1 Tetrahydrocarbazol derivatives MERCK PATENT GmbH (DE) 1984-08-15 EP disclosed