SCHEMBL9614092

SCHEMBL9614092

CCC(Oc1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.53
PPARA Q07869 3/20 0.53
IGLV6-57 P01721 1/20 0.52
PTPN7 P35236 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
RAB9A P51151 2/20 0.45
SLC6A4 P31645 2/20 0.44
SLC7A5 Q01650 1/20 0.43
CASR P41180 1/20 0.43
ALOX5 P09917 1/20 0.43
ALKBH1 Q13686 1/20 0.43
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
AKR1C1 Q04828 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL26190199 0.90 PPARG (0.49) PPARGPPARAIGLV6-57PTPN7CYP1A2
SCHEMBL2785535 0.81 SLC6A4 (0.59) IGLV6-57CYP1A2RAB9ASLC6A4SLC7A5
SCHEMBL5394251 0.81 HTR2A (0.45) PPARGPPARAPTPN7CYP1A2CYP2A6
SCHEMBL25913827 0.81 SLC6A4 (0.51) IGLV6-57CYP1A2RAB9ASLC6A4SLC7A5
SCHEMBL6006366 0.80 SLC6A4 (0.49) PPARGPPARAPTPN7SLC6A4SLC7A5
SCHEMBL7549785 0.79 SLC6A4 (0.53) IGLV6-57CYP1A2RAB9ASLC6A4SLC7A5
SCHEMBL10021745 0.79 IGLV6-57 (0.51) IGLV6-57CYP1A2RAB9ASLC6A4SLC7A5
SCHEMBL5308268 0.79 PPARG (0.43) PPARGPPARAPTPN7CYP1A2CYP2A6
SCHEMBL5176292 0.78 ALDH1A1 (0.57) IGLV6-57SLC6A4SLC7A5ALKBH1
SCHEMBL20526950 0.78 IGLV6-57 (0.51) IGLV6-57SLC6A4SLC7A5ALKBH1

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-5135947-A Treatment of depression, eating disorders, and alcoholism ELI LILLY AND COMPANY (US) 1992-08-04 US disclosed
EP-0288188-B1 1-PHENYL-3-NAPHTHALENYLOXY-PROPANAMINES ELI LILLY AND COMPANY (US) 1991-10-16 EP disclosed
EP-0288188-A1 1-Phenyl-3-naphthalenyloxy-propanamines ELI LILLY AND COMPANY (US) 1988-10-26 EP disclosed