SCHEMBL8520825

SCHEMBL8520825

CC(N)C(N)(CN)CCN1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
CXCR4 P61073 2/20 0.34
HSD17B10 Q99714 1/20 0.32
SIGMAR1 Q99720 3/20 0.31
GNAO1 P09471 1/20 0.30
KDM1A O60341 1/20 0.30
RAD52 P43351 1/20 0.30
ALDH1A1 P00352 1/20 0.30
THRB P10828 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
SCHEMBL4123669 0.71 SMN1; SMN2 (0.43) CHRM5CHRM3SMN1; SMN2POLBANPEP
SCHEMBL3387998 0.70 SMN1; SMN2 (0.42) CHRM5CHRM3SMN1; SMN2POLBANPEP
SCHEMBL28775751 0.69
SCHEMBL28106779 0.68 CXCR4 (0.44) CHRM5CHRM3SMN1; SMN2POLBANPEP
SCHEMBL790494 0.68 ALOX15 (0.43) CHRM5CHRM3SMN1; SMN2POLBANPEP
SCHEMBL29143564 0.68 ALOX15 (0.43) CHRM5CHRM3SMN1; SMN2POLBANPEP
SCHEMBL16266915 0.67 SMN1; SMN2 (0.39) CHRM5CHRM3SMN1; SMN2POLBANPEP
SCHEMBL27980504 0.67 POLB (0.39) CHRM5CHRM3SMN1; SMN2POLBANPEP
SCHEMBL11480544 0.67 ALOX15 (0.46) CHRM5CHRM3SMN1; SMN2POLBANPEP
SCHEMBL3323224 0.67 SIGMAR1 (0.30) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129651-B1 NOVEL METHOD FOR PRODUCING TETA BY MEANS OF EDDN BASF SE (DE) 2013-04-10 EP claimed
EP-0604097-B1 Ink compositions XEROX CORP (US) 1999-10-13 EP claimed
US-11814761-B2 Process for producing mineral wool SAINT-GOBAIN ISOVER (FR) 2023-11-14 US disclosed
US-20200340156-A1 PROCESS FOR PRODUCING MINERAL WOOL SAINT-GOBAIN ISOVER (FR) 2020-10-29 US disclosed
EP-3724142-A1 PROCESS FOR PRODUCING MINERAL WOOL SAINT-GOBAIN ISOVER (FR) 2020-10-21 EP disclosed