SCHEMBL9586265

SCHEMBL9586265

CC1(N)CCC(C(C)(C)N)CC1.NCCN1CCN(CCN)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
ALOX15 P16050 2/20 0.42
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PRMT3 O60678 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT1 Q99873 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 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
SCHEMBL19878627 0.82 ALDH1A1 (0.87) ALDH1A1TDP1
SCHEMBL2520233 0.80 ALDH1A1 (1.00) ALDH1A1TDP1
SCHEMBL242895 0.80 ALDH1A1 (1.00) ALDH1A1TDP1
SCHEMBL2520236 0.80 ALDH1A1 (1.00) ALDH1A1TDP1
Hydrochloric Acid SCHEMBL10935840 0.78 ALDH1A1 (0.95) ALDH1A1TDP1
Hydrochloric Acid SCHEMBL10935845 0.78 ALDH1A1 (0.95) ALDH1A1TDP1
SCHEMBL29326322 0.73 ALOX15 (0.40) ALDH1A1TDP1ALOX15CHRM2CHRM1
SCHEMBL19649386 0.68 ALDH1A1 (0.74) ALDH1A1TDP1
SCHEMBL3318265 0.67 ALOX15 (0.50) ALOX15CYP1A2CYP2D6PRMT3CARM1
SCHEMBL23434935 0.66 DRD2 (0.42) ALDH1A1TDP1GNAI3GNAO1GNAI1

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
US-5210120-A Fireproofing MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECHNOLOGICA (IT) 1993-05-11 US disclosed