SCHEMBL11635348

SCHEMBL11635348

CC(CC12CC3CC(CC(C3)C1)C2)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
BPTF Q12830 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34

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
SCHEMBL11633443 0.98 SMN1; SMN2 (0.45) SMN1; SMN2BPTFKMT2AMEN1POLB
SCHEMBL11633407 0.82 HSD11B1 (0.38) SMN1; SMN2BPTFKMT2AMEN1ALDH1A1
SCHEMBL11635875 0.82 KDM4E (0.50) KMT2AMEN1TSHRALDH1A1PKM
SCHEMBL5252707 0.71 GRIN2D (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1GRIN2D
SCHEMBL27565285 0.67 CYP3A4 (0.39) SMN1; SMN2KMT2AMEN1POLBTDP1
SCHEMBL3511589 0.67 SLC22A2 (0.50) SMN1; SMN2KMT2AMEN1TSHRALDH1A1
SCHEMBL5306258 0.67 GRIN2D (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1GRIN2D
SCHEMBL28350293 0.66 GRIN2D (0.41) SMN1; SMN2KMT2AMEN1ALDH1A1GRIN2D
Hydrochloric Acid SCHEMBL11637716 0.66 MAPT (0.52) SMN1; SMN2KMT2AMEN1POLBTSHR
SCHEMBL23869469 0.65 CYP3A4 (0.38) SMN1; SMN2KMT2AMEN1POLBTDP1

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-4100170-A ANTIHYPERTENSIVE AGENTS, MONOAMINE OXIDASE INHIBITORS PENNWALT CORPORATION (US) 1978-07-11 US disclosed