SCHEMBL16299520

SCHEMBL16299520

COc1ccc(C(c2[nH]c3ccc(Cl)cc3c2CCN)C2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.44
HTR6 P50406 1/20 0.44
MTNR1B P49286 8/20 0.43
MTNR1A P48039 7/20 0.43
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CNR1 P21554 3/20 0.38
DHODH Q02127 1/20 0.38
MAP2 P11137 1/20 0.37
CNR2 P34972 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MCHR1 Q99705 1/20 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
SCHEMBL16314625 0.89 HTR1D (0.44) HTR1DHTR6MTNR1BMTNR1ASLC6A2
SCHEMBL16302691 0.81 HTR1D (0.51) HTR1DHTR6MTNR1BMTNR1ACNR1
SCHEMBL16302689 0.75 HTR1D (0.44) HTR1DHTR6MTNR1BMTNR1ACNR1
SCHEMBL8947058 0.72 HTR6 (0.68) HTR1DHTR6MTNR1BMTNR1ASLC6A2
SCHEMBL8946953 0.69 MTNR1A (0.68) HTR1DHTR6MTNR1BMTNR1ASLC6A2
SCHEMBL16313330 0.69 MTNR1B (0.48) HTR1DHTR6MTNR1BMTNR1ACNR1
SCHEMBL25620291 0.68 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL16299526 0.68 CYP19A1 (0.53) HTR1DHTR6MTNR1BMTNR1A
SCHEMBL16313373 0.67 CYP19A1 (0.49) HTR1DHTR6MTNR1BMTNR1ACNR1
SCHEMBL25620287 0.67 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871375-B1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PTC THERAPEUTICS INC (US) 2012-02-29 EP disclosed