SCHEMBL9700074

SCHEMBL9700074

CNCC1COc2cc(OC)cc3c(Sc4ccccc4)c(C)n1c23

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
MEN1 O00255 2/20 0.32

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
SCHEMBL9700412 0.88 DRD2 (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9701576 0.86 PTGDR2 (0.33) CNR1CNR2MEN1KMT2ACYP3A4
SCHEMBL9700330 0.86 CNR1 (0.40) DRD2DRD3CNR1CNR2MEN1
SCHEMBL9701551 0.86 CNR1 (0.40) DRD2DRD3CNR1CNR2MEN1
SCHEMBL9699362 0.84 CNR1 (0.39) CNR1CNR2MEN1KMT2ACYP3A4
SCHEMBL9701364 0.83 CNR1 (0.38) DRD2DRD3CNR1CNR2MEN1
SCHEMBL9700401 0.81 CNR1 (0.36) CNR1CNR2MEN1KMT2ACYP3A4
SCHEMBL9700394 0.79 TUBB4A (0.30) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9700124 0.76 TUBB4A (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9700377 0.75 CNR1 (0.44) CNR1CNR2MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112820-A Vision defects STERLING DRUG INC. (US) 1992-05-12 US disclosed
US-5109135-A 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates STERLING DRUG INC. (US) 1992-04-28 US disclosed
US-5066803-A Chemical intermediates for analgesics STERLING DRUG INC. (US) 1991-11-19 US disclosed
WO-1990007505-A1 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES STERLING DRUG INC. (US) 1990-07-12 WO disclosed
US-4939138-A 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines STERLING DRUG INC. (US) 1990-07-03 US disclosed