SCHEMBL7681916

SCHEMBL7681916

CCCCC(Cl)(CN)CCCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.44
SMPD1 P17405 2/20 0.37
DNM1 Q05193 8/20 0.35
TSHR P16473 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.35
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
CA2 P00918 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
SCHEMBL8114941 0.82 FDPS (0.40) FDPSSMPD1
SCHEMBL5528900 0.82 TSHR (0.40) FDPSSMPD1TSHRALDH1A1TDP1
SCHEMBL2708600 0.81 FDPS (0.43) FDPSSMPD1DNM1TSHRMEN1
Phosphine SCHEMBL6693796 0.79 FDPS (0.39) FDPSSMPD1TSHRALDH1A1TDP1
SCHEMBL27696187 0.79 FDPS (0.39) FDPSSMPD1TSHRALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL524093 0.79 FDPS (0.39) FDPSSMPD1TSHRALDH1A1TDP1
SCHEMBL27810873 0.77 FDPS (0.37) FDPSSMPD1TSHRALDH1A1TDP1
SCHEMBL28042749 0.77 FDPS (0.37) FDPSSMPD1TSHRALDH1A1TDP1
SCHEMBL27316692 0.77 FDPS (0.37) FDPSSMPD1TSHRALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL11836898 0.74 FDPS (0.39) FDPSSMPD1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489337-B1 TREATMENT OF ALZHEIMER'S DISEASE, EPILEPSY, EATING DISORDERS, LEARNING AND MEMORY DISORDERS, MIGRAINE, SLEEP/WAKE DISORDERS, ALLERGIC RHINITIS, SCHIZOPHRENIA, MILD COGNITIVE IMPAIRMENT, AND ASTHMA ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-03 US disclosed
WO-2001074813-A2 METHOD FOR USING 2- OR 3-ARYL SUBSTITUTED IMIDAZO[1,2-a] PYRIDINES AS H3 ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
US-4871745-A LOCAL ANESTHETICS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-10-03 US disclosed
US-4791117-A LOCAL ANTESTHETICS, ANTISECRETORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-12-13 US disclosed
EP-0261912-A2 2- or 3- Aryl substituted imidazo [1,2-a] pyridines ORTHO PHARMACEUTICAL CORPORATION (US) 1988-03-30 EP disclosed
US-4727145-A LOCAL ANESTHETICS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-02-23 US disclosed
EP-0179492-A2 Heat-sensitive recording material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1986-04-30 EP disclosed
US-4001229-A ALKANESULFONAMIDO TRIPHENYLETHYLENES MEAD JOHNSON & COMPANY (US) 1977-01-04 US disclosed
US-3957828-A 3-Aminoalkyl-1,3-dihydro-3-phenylspiro[isobenzofurans] AMERICAN HOECHST CORPORATION (US) 1976-05-18 US disclosed