SCHEMBL7681683

SCHEMBL7681683

CCCCCN(CCCCC)C(Cl)CC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.42
TSHR P16473 4/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GGPS1 O95749 3/20 0.31
GBA1 P04062 1/20 0.31
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL363491 0.92 TSHR (0.33) DNM1TSHRTHRBALDH1A1CA12
SCHEMBL7115358 0.80 FDPS (0.39)
Hydrochloric Acid SCHEMBL7371395 0.78 FDPS (0.37)
SCHEMBL8107788 0.77 DNM1 (0.35) DNM1TSHRALDH1A1PLA2G1BPLA2G2A
SCHEMBL8114586 0.77 MMP1 (0.31) TSHRPLA2G1BPLA2G2A
SCHEMBL11872469 0.75 PLA2G1B (0.38) DNM1TSHRTHRBPLA2G1BPLA2G2A
SCHEMBL3314077 0.74 DNM1 (0.42) DNM1TSHRTHRBCA12CA1
SCHEMBL3309868 0.72 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL25469904 0.72 DNM1 (0.40) DNM1TSHRTHRBCA12CA1
SCHEMBL2361412 0.72 DNM1 (0.40) DNM1TSHRTHRBALDH1A1CA12

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 6 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
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