SCHEMBL22100705

SCHEMBL22100705

CCCN(c1ccccn1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.52
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 4/20 0.46
TRPM8 Q7Z2W7 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 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
SCHEMBL8808223 0.79 SMN1; SMN2 (0.58) NPC1ALDH1A1TRPM8SMN1; SMN2LMNA
SCHEMBL8629811 0.78 CCR5 (0.52) CCR5NPC1ALDH1A1TRPM8SMN1; SMN2
SCHEMBL14139451 0.76 LCK (0.58) NPC1ALDH1A1TRPM8SMN1; SMN2LMNA
SCHEMBL17046111 0.74 TRPV1 (0.47) CCR5NPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL16307375 0.73 CCR5 (0.53) CCR5NPC1ALDH1A1TRPM8SMN1; SMN2
SCHEMBL4485628 0.73 TRPV1 (0.48) THRB
SCHEMBL17046170 0.72 DRD3 (0.46) CCR5NPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL14099270 0.72 ALDH1A1 (0.48) NPC1ALDH1A1TRPM8SMN1; SMN2LMNA
SCHEMBL27863544 0.72 LCK (0.54) NPC1ALDH1A1TRPM8SMN1; SMN2LMNA
SCHEMBL16784701 0.71 CYP2D6 (0.38) CCR5ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501761-B1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2020-06-17 EP disclosed