SCHEMBL8959780

SCHEMBL8959780

NCCn1ccc2cc(F)ccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.59
HTR2A P28223 8/20 0.59
CDK4 P11802 3/20 0.52
CCND1 P24385 3/20 0.52
P2RX7 Q99572 1/20 0.47
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
SCN9A Q15858 1/20 0.42
HTR6 P50406 1/20 0.42
PRMT5 O14744 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2B P41595 1/20 0.41

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
Fumaric Acid SCHEMBL8959697 0.87 HTR2A (0.48) HTR2CHTR2ACDK4CCND1P2RX7
Fumaric Acid SCHEMBL8959686 0.87 HTR2A (0.48) HTR2CHTR2ACDK4CCND1P2RX7
SCHEMBL5991839 0.87 HTR2C (0.54) HTR2CHTR2ACDK4CCND1P2RX7
SCHEMBL28651148 0.86 HTR2C (0.59) HTR2CHTR2ACDK4CCND1P2RX7
SCHEMBL25310410 0.82 HTR2C (0.55) HTR2CHTR2ACDK4CCND1P2RX7
SCHEMBL31561786 0.82 HTR2C (0.55) HTR2CHTR2ACDK4CCND1P2RX7
SCHEMBL7323037 0.82 HTR2C (0.55) HTR2CHTR2ACDK4CCND1P2RX7
SCHEMBL18856959 0.82 HTR2C (0.59) HTR2CHTR2ACDK4CCND1P2RX7
SCHEMBL18857021 0.82 HTR2C (0.55) HTR2CHTR2ACDK4CCND1P2RX7
SCHEMBL6789563 0.80 PRKCI (0.56) HTR2CHTR2ACDK4CCND1PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 EP claimed
JP-7149723-A None JP disclosed
CN-113372347-A Beta-carboline derivatives and their use as indoleamine-2, 3-dioxygenase 1 inhibitors 南京医科大学 2021-09-10 CN disclosed
CN-113307806-A Beta-carboline selective monoamine oxidase B inhibitor and pharmaceutical application thereof 陈冬寅 2021-08-27 CN disclosed
CN-1061341-C 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 2001-01-31 CN disclosed
US-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
CN-1105988-A 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 1995-08-02 CN disclosed
JP-H07149723-A 1-AMINOETHYLINDOLE DERIVATIVE F HOFFMANN LA ROCHE AG 1995-06-13 JP disclosed
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 EP disclosed