SCHEMBL11106968

SCHEMBL11106968

NCC1Oc2ccc(F)cc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.41
HTR2A P28223 4/20 0.41
MAOB P27338 4/20 0.35
HTR2B P41595 3/20 0.35
CYP19A1 P11511 1/20 0.34
PGR P06401 2/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C1 P04150 1/20 0.33
AR P10275 1/20 0.33
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL11109003 0.98 HTR2C (0.43) HTR2CHTR2AMAOBHTR2BCYP19A1
SCHEMBL11105723 0.85 HTR2C (0.38) HTR2CHTR2AMAOBHTR2BSLC6A4
SCHEMBL11112740 0.83 HTR2A (0.42) HTR2CHTR2AALDH1A1MAPTALOX12
SCHEMBL11105016 0.82 HTR2A (0.50) HTR2CHTR2AMAOBCYP19A1AR
SCHEMBL11104139 0.82 AR (0.47) HTR2AMAOBCYP19A1ALDH1A1MAPT
SCHEMBL11113079 0.82 AR (0.45) HTR2CHTR2AHTR2BCYP19A1PGR
Hydrochloric Acid SCHEMBL11112345 0.81 AR (0.44) HTR2CHTR2AHTR2BCYP19A1PGR
SCHEMBL11110129 0.80 APEX1 (0.47) CYP19A1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11108436 0.80 CYP1A2 (0.39) HTR2CHTR2AHTR2BMAPT
SCHEMBL11111134 0.78 KDM4E (0.48) HTR2AMAOBCYP19A1ALDH1A1MAPT

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
US-4463001-A ANTIULCER AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1984-07-31 US disclosed