SCHEMBL7678322

SCHEMBL7678322

Fc1ccc2c(c1)C1(CCNCC1)c1cc(F)ccc1O2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.51
AKR1B1 P15121 3/20 0.39
MAPT P10636 2/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1A1 P14550 1/20 0.39
DPP4 P27487 1/20 0.38
OPRM1 P35372 2/20 0.36
NR3C2 P08235 4/20 0.35
AKT1 P31749 1/20 0.35
FABP6 P51161 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL7675250 0.79 HTR2C (0.51) HTR2COPRM1AKT1KMT2A
SCHEMBL11244523 0.76 MAPT (0.47) HTR2CAKR1B1MAPTAKR1B10AKR1A1
Hydrochloric Acid SCHEMBL11242648 0.75 MAPT (0.47) HTR2CAKR1B1MAPTAKR1B10AKR1A1
SCHEMBL3381491 0.74 OPRM1 (0.50) HTR2COPRM1
SCHEMBL29836006 0.74 AKR1B1 (0.43) AKR1B1MAPTAKR1B10AKR1A1FABP6
SCHEMBL3742950 0.73 HTR2C (0.46) HTR2CAKR1B1MAPTAKR1B10AKR1A1
SCHEMBL7675502 0.73 PDK2 (0.47) HTR2CAKR1B1AKR1A1OPRM1NR3C2
SCHEMBL7675510 0.73 HTR2C (0.46) HTR2COPRM1KMT2A
Hydrochloric Acid SCHEMBL11389522 0.73 OPRM1 (0.48) HTR2COPRM1
Hydrochloric Acid SCHEMBL2800247 0.72 HTR2C (0.44) HTR2CAKR1B1MAPTAKR1B10AKR1A1

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-6387893-B1 ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA MERCK & CO., INC. 2002-05-14 US disclosed