SCHEMBL27791981

SCHEMBL27791981

CCCCN1CCNCC1N

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
GBA2 Q9HCG7 8/20 0.33
GNAO1 P09471 7/20 0.33
GNAI3 P08754 6/20 0.33
GNAI1 P63096 6/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
UGCG Q16739 3/20 0.31
MGAM O43451 2/20 0.31
GAA P10253 2/20 0.31
SI P14410 2/20 0.31
AGL P35573 2/20 0.31
GBA1 P04062 1/20 0.31

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
SCHEMBL3260061 0.95 GNAO1 (0.40) TAAR1GBA2GNAO1GNAI3GNAI1
SCHEMBL28109829 0.89 TAAR1 (0.36) TAAR1GBA1
SCHEMBL8370585 0.81 CXCR4 (0.30)
SCHEMBL48946 0.80
SCHEMBL3106518 0.79 TAAR1 (0.38) TAAR1GBA2GNAO1GNAI3GNAI1
Hydrazine SCHEMBL17761197 0.79
SCHEMBL3106323 0.78 TAAR1 (0.46) TAAR1GBA2GNAO1GNAI3GNAI1
SCHEMBL28030708 0.78 GBA2 (0.40) TAAR1GBA2MEN1KMT2AUGCG
SCHEMBL27974781 0.77 CA1 (0.31)
Piperazine SCHEMBL28071040 0.77 CXCR4 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103221125-A Acid gas absorbent composition NALCO CO 2013-07-24 CN claimed
CN-103221125-A Acid gas absorbent composition NALCO CO 2013-07-24 CN disclosed
CN-101646757-B lubricating oil composition IDEMITSU KOSAN CO 2013-07-24 CN disclosed
CN-102481518-A Acid gas scrubbing composition NALCO CO 2012-05-30 CN disclosed
CN-102470340-A Acid gas scrubbing composition NALCO CO 2012-05-23 CN disclosed
CN-101646756-A lubricating oil composition IDEMITSU KOSAN CO JP 2010-02-10 CN disclosed
CN-101646757-A lubricating oil composition IDEMITSU KOSAN CO JP 2010-02-10 CN disclosed