SCHEMBL9210389

SCHEMBL9210389

CCc1c[nH]c2ccc(C(C)CO)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 8/20 0.51
▸ HTR1B P28222 7/20 0.49
▸ HTR2A P28223 4/20 0.44
▸ HTR2C P28335 3/20 0.44
▸ HTR1A P08908 3/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SPR P35270 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL25903380 0.84 HTR1D (0.69) HTR1DHTR1BHTR2AHTR2CHTR1A
SCHEMBL17066884 0.83 HTR1D (0.55) HTR1DHTR1BHTR2AHTR2CHTR1A
SCHEMBL9200459 0.82 HTR1D (0.49) HTR1DHTR1BHTR2AHTR2CHTR1A
SCHEMBL22643882 0.76 HTR1D (0.58) HTR1DHTR1BHTR2AHTR1A
SCHEMBL7755853 0.74 HTR1D (0.73) HTR1DHTR1BHTR2AHTR2CHTR1A
SCHEMBL266613 0.74 NPSR1 (0.68) HTR1DHTR1BHTR2AHTR2CHTR1A
SCHEMBL22643951 0.72 HTR1D (0.75) HTR1DHTR1BHTR2AHTR1A
SCHEMBL7651463 0.72 HTR1D (0.67) HTR1DHTR1BHTR2AHTR2CHTR1A
SCHEMBL12013054 0.72 HTR1D (0.73) HTR1DHTR1BHTR1A
SCHEMBL20921203 0.72 TSHR (0.64) HTR1DHTR1BHTR2AHTR2CHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544821-B1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER (US) 1995-01-11 — — EP disclosed
US-5290788-A Indole derivatives as antiallergy and antiinflammatory agents PFIZER INC. (US) 1994-03-01 — — US disclosed
EP-0544821-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS. PFIZER (US) 1993-06-09 — — EP disclosed
WO-1992006088-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-04-16 — — WO disclosed
Send feedback