SCHEMBL8691191

SCHEMBL8691191

CCCN1CCN(c2cc(NC(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2OC)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 17/20 0.68
▸ HTR1D P28221 17/20 0.68
▸ HTR1B P28222 17/20 0.68
▸ HTR2C P28335 5/20 0.63
▸ HTR6 P50406 5/20 0.63
▸ HTR2A P28223 5/20 0.63
▸ HTR7 P34969 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ STS P08842 1/20 0.57
▸ RAB9A P51151 1/20 0.56

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
SCHEMBL8759945 0.93 HTR1A (0.68) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL8691219 0.89 HTR1A (0.85) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6720400 0.88 MAPT (0.58) HTR1AHTR1DHTR1BHTR2CHTR6
Fumaric Acid SCHEMBL8691252 0.88 HTR1A (0.71) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL8696773 0.86 HTR1A (0.69) HTR1AHTR1DHTR1BHTR2CHTR6
Fumaric Acid SCHEMBL8692233 0.84 HTR1A (0.86) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL8693877 0.84 HTR1A (0.67) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL8760766 0.81 HTR1A (1.00) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717660 0.80 HTR1A (0.64) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717524 0.80 HTR1A (0.56) HTR1AHTR1DHTR1BHTR2CHTR6

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-5789412-A 5-HYDROXYTRYPTAMINE (SEROTONIN) RECEPTOR ANTAGONISTS FOR THE CURATIVE OR PREVENTIVE TREATMENT OF PAIN, DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS, ANXIETY OR PANIC ATTACK, OR CANCER PIERRE FABRE MEDICAMENT (FR) 1998-08-04 — — US disclosed
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