SCHEMBL11662016

SCHEMBL11662016

[CH2]CC(OC)C(C)(C)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.47
▸ HTR2B P41595 2/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ MAOB P27338 6/20 0.45
▸ IDO1 P14902 2/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ MIF P14174 2/20 0.41
▸ ABHD6 Q9BV23 1/20 0.40
▸ ACP3 P15309 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ EPHX1 P07099 1/20 0.39

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
SCHEMBL11661597 0.87 HTR2A (0.48) HTR2AHTR2BHTR2CMAOBIDO1
SCHEMBL11614193 0.80 HTR2A (0.49) HTR2AHTR2BHTR2CMAOBIDO1
SCHEMBL11662794 0.80 PNMT (0.41) MAOBIDO1TAAR1
SCHEMBL11766837 0.80 HTR2A (0.46) HTR2AHTR2BHTR2CMAOBIDO1
SCHEMBL11662206 0.79 TRPA1 (0.47) MAOBTAAR1LMNA
SCHEMBL11662620 0.78 HTR2A (0.47) HTR2AHTR2BHTR2CMAOBIDO1
SCHEMBL11663978 0.76 L3MBTL1 (0.41) HTR2AHTR2BHTR2CMAOBLMNA
SCHEMBL11616015 0.75 IDO1 (0.50) HTR2AHTR2BHTR2CMAOBIDO1
SCHEMBL73993 0.73 HTR2A (0.58) HTR2AHTR2BHTR2CMAOBIDO1
SCHEMBL11664090 0.73 TAAR1 (0.50) HTR2AHTR2BHTR2CMAOBIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
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