SCHEMBL10493767

SCHEMBL10493767

CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)CC2(O)CC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 17/20 0.48
▸ CNR1 P21554 12/20 0.48
▸ NR1I2 O75469 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44

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
SCHEMBL10365166 0.76 CNR2 (0.48) CNR2CNR1
SCHEMBL10367726 0.76 CNR2 (0.53) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL10367356 0.74 CNR2 (0.47) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL10372483 0.73 CNR2 (0.56) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL10365544 0.70 CNR1 (0.57) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL31545670 0.70 CNR2 (0.53) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL10365457 0.69 CNR2 (0.58) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL10367748 0.69 CNR2 (0.54) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL10365485 0.68 CNR2 (0.46) CNR2CNR1
SCHEMBL10482651 0.68 CNR2 (0.55) CNR2CNR1NR1I2ADORA3SLC6A3

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
US-4870084-A ANALGESICS, ANTIDIARRHEALS PFIZER INC. (US) 1989-09-26 — — US disclosed
US-4841078-A ANALGESICS PFIZER INC. (US) 1989-06-20 — — US disclosed
US-4680404-A ANALGESICS, TRANQUILIZERS, ANTIEMETICS, DIURETICS, ANTICONVULSANTS PFIZER INC. (US) 1987-07-14 — — US disclosed
US-4486428-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-12-04 — — US disclosed
Send feedback