SCHEMBL9633644

SCHEMBL9633644

CC1C(=O)N(Cc2ccc(F)cc2)CC1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.47
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.41
TACR1 P25103 1/20 0.40
RAB9A P51151 2/20 0.40
HTR2A P28223 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
KCNH2 Q12809 1/20 0.38
GRIN2B Q13224 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38

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
SCHEMBL10505771 0.74 HTT (0.53) GRM2ALDH1A1POLBHSD17B10TACR1
SCHEMBL9767014 0.74 GRM2 (0.51) GRM2ALDH1A1POLBRAB9AHTR2A
SCHEMBL9633705 0.73 MC4R (0.46) GRM2TACR1KCNH2
SCHEMBL4332334 0.69 GRM2 (0.58) GRM2ALDH1A1POLBRAB9AHTR2A
SCHEMBL4096799 0.69 GRM2 (0.58) GRM2ALDH1A1POLBRAB9AHTR2A
SCHEMBL4332336 0.69 GRM2 (0.58) GRM2ALDH1A1POLBRAB9AHTR2A
SCHEMBL8325711 0.68 GRM2 (0.54) GRM2ALDH1A1POLBHSD17B10RAB9A
SCHEMBL9456965 0.68 HTT (0.51) GRM2ALDH1A1POLBHSD17B10TACR1
SCHEMBL10085217 0.66 HRH3 (0.71) ALDH1A1RAB9ANPC1
SCHEMBL18805034 0.66 HRH3 (0.71) ALDH1A1RAB9ANPC1

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-5149808-A Nootropics, antihypoxic agents BOEHRINGER INGELHEIM KG (DE) 1992-09-22 US disclosed
US-5073671-A Nootropic and antihypoxic agents BOEHRINGER INGELHEIM KG (DE) 1991-12-17 US disclosed
US-4833140-A ANTIHYPOXIC AGENTS BOEHRINGER INGELHEIM KG (DE) 1989-05-23 US disclosed
US-4767759-A ANTIHYPOXICS BOEHRINGER INGELHEIM KG (DE) 1988-08-30 US disclosed