SCHEMBL7602502

SCHEMBL7602502

CC(C)(c1cccc2c1Cc1ccccc1-2)C1C=Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL8156579 0.85 PNMT (0.33) PNMTNPC1RAB9A
SCHEMBL8151832 0.83
SCHEMBL20449032 0.75 PNMT (0.41) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29843980 0.75 PNMT (0.41) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL5823610 0.74 PNMT (0.41) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2043313 0.72 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL5837265 0.72 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7598097 0.72 PNMT (0.35) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29844004 0.72 PNMT (0.35) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7602996 0.72 PNMT (0.35) PNMTNPC1RAB9AHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670681-A Process for preparing a carbon-bridged biscyclopentadiene compound HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US claimed
EP-1015463-B1 METHOD FOR PRODUCING METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2002-12-11 EP disclosed