SCHEMBL11475909

SCHEMBL11475909

C[C@@H]1[C@H]2Cc3ccccc3[C@]1(C)CCN2

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.68
OPRK1 P41145 4/20 0.68
OPRM1 P35372 2/20 0.68
OPRD1 P41143 2/20 0.68
MRGPRX2 Q96LB1 2/20 0.48
TMEM97 Q5BJF2 5/20 0.45
PRCP P42785 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
SCHEMBL11591740 1.00 SIGMAR1 (0.68) SIGMAR1OPRK1OPRM1OPRD1MRGPRX2
SCHEMBL18408128 0.83 OPRM1 (0.66) SIGMAR1OPRK1OPRM1OPRD1MRGPRX2
SCHEMBL1206273 0.83 OPRM1 (0.66) SIGMAR1OPRK1OPRM1OPRD1MRGPRX2
SCHEMBL13014950 0.81 SIGMAR1 (1.00) SIGMAR1OPRK1OPRM1OPRD1MRGPRX2
SCHEMBL11593513 0.81 SIGMAR1 (0.46) SIGMAR1OPRK1OPRM1OPRD1TMEM97
SCHEMBL11710419 0.81 SIGMAR1 (1.00) SIGMAR1OPRK1OPRM1OPRD1MRGPRX2
SCHEMBL972352 0.81 SIGMAR1 (1.00) SIGMAR1OPRK1OPRM1OPRD1MRGPRX2
SCHEMBL1299748 0.81 SIGMAR1 (1.00) SIGMAR1OPRK1OPRM1OPRD1MRGPRX2
SCHEMBL11487059 0.81 OPRD1 (0.71) SIGMAR1OPRK1OPRM1OPRD1MRGPRX2
SCHEMBL14619144 0.81 SIGMAR1 (1.00) SIGMAR1OPRK1OPRM1OPRD1MRGPRX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4205171-A ANALGESICS STERLING DRUG INC. (US) 1980-05-27 US disclosed
US-RE29943-E ANALGESICS STERLING DRUG INC. (US) 1979-03-20 US disclosed
US-4127577-A Aminomethanobenzazocine process STERLING DRUG INC. (US) 1978-11-28 US disclosed
US-4108857-A CNS DEPRESSANTS, ANALGESICS, PSYCHOMOTOR ACTION STERLING DRUG INC. (US) 1978-08-22 US disclosed
US-4032529-A ANALGESICS STERLING DRUG INC. (US) 1977-06-28 US disclosed
US-3968114-A ANALGESIC STERLING DRUG INC. (US) 1976-07-06 US disclosed
US-3957793-A ANALGESICS STERLING DRUG INC. (US) 1976-05-18 US disclosed