SCHEMBL8319121

SCHEMBL8319121

CC(C)c1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.49
▸ POLB P06746 1/20 0.46
▸ SSTR3 P32745 9/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ EPHX2 P34913 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
SCHEMBL17335871 0.84 HRH3 (0.66) POLBHRH3RAB9ANPC1SMN1; SMN2
SCHEMBL16980536 0.82 POLB (0.59) POLBHRH3L3MBTL1RAB9ANPC1
SCHEMBL16980401 0.81 RAB9A (0.53) POLBHRH3L3MBTL1RAB9ANPC1
SCHEMBL8314076 0.79 SSTR3 (0.61) POLBSSTR3HRH3RAB9ANPC1
SCHEMBL19329149 0.79 POLB (0.70) CCR2POLBSSTR3HRH3RAB9A
SCHEMBL20063373 0.76 KDM1A (0.47) SSTR3L3MBTL1
SCHEMBL8315514 0.76 SSTR3 (0.69) POLBSSTR3HRH3RAB9AKMT2A
SCHEMBL3899502 0.76 KDM1A (0.56) POLBSSTR3HRH3L3MBTL1
SCHEMBL3899511 0.76 KDM1A (0.56) POLBSSTR3HRH3L3MBTL1
SCHEMBL21361200 0.75 HRH3 (0.49) HRH3KMT2AMEN1SMN1; SMN2

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
EP-0787716-B1 Isoprene derivatives NISSHIN FLOUR MILLING CO (JP) 1999-12-08 — — EP disclosed
US-5756475-A POLYISOPRENE MODIFIED WITH AMINE WITH ANTICANCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-26 — — US disclosed
EP-0787716-A1 Isoprene derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-08-06 — — EP disclosed
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