SCHEMBL9469575

SCHEMBL9469575

c1ccc(CNC[C@@H]2CCCCN2)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
LTA4H P09960 8/20 0.50
MAN1B1 Q9UKM7 1/20 0.47
KMT2A Q03164 1/20 0.44
CXCR4 P61073 1/20 0.44
HTR2C P28335 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL2937792 1.00 POLB (0.63) POLBLTA4HMAN1B1KMT2ACXCR4
SCHEMBL1162536 0.95 POLB (0.56) POLBLTA4HMAN1B1KMT2ACXCR4
SCHEMBL1162602 0.95 POLB (0.56) POLBLTA4HMAN1B1KMT2ACXCR4
SCHEMBL8854588 0.95 POLB (0.56) POLBLTA4HMAN1B1KMT2ACXCR4
SCHEMBL1750429 0.86 POLB (0.46) POLBLTA4HMAN1B1KMT2A
SCHEMBL13278472 0.86 POLB (0.61) POLBLTA4HKMT2ASIGMAR1
SCHEMBL28806486 0.84 POLB (0.44) POLB
SCHEMBL23022845 0.84 POLB (0.59) POLBLTA4HKMT2ASIGMAR1
SCHEMBL27928440 0.83 CYP2D6 (0.53) POLBKMT2ACXCR4
SCHEMBL20056668 0.81 POLB (0.54) POLBLTA4HSIGMAR1

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-5189046-A Antiinflammatory agents, anticonvulsants NOVA PHARMACEUTICAL CORPORATION (US) 1993-02-23 US disclosed
WO-1992003415-A1 PROTEIN KINASE C MODULATORS NOVA PHARMACEUTICAL CORPORATION (US) 1992-03-05 WO disclosed