SCHEMBL9501718

SCHEMBL9501718

CC(C)[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.60
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
NPC1 O15118 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DPP4 P27487 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL26710742 1.00 CCR1 (0.60) CCR1SMN1; SMN2HPGDLMNAPKM
SCHEMBL27748727 0.93 CCR1 (0.68) CCR1SMN1; SMN2NPC1TDP1DPP4
SCHEMBL425573 0.93 CCR1 (0.68) CCR1SMN1; SMN2NPC1TDP1DPP4
SCHEMBL26616529 0.88 SMN1; SMN2 (0.58) SMN1; SMN2HPGDLMNAPKMNPC1
SCHEMBL10749238 0.83 SMN1; SMN2 (0.50) CCR1SMN1; SMN2HPGDLMNAPKM
SCHEMBL18631610 0.82 DPP4 (0.55) CCR1SMN1; SMN2NPC1TDP1DPP4
SCHEMBL18631609 0.82 DPP4 (0.55) CCR1SMN1; SMN2NPC1TDP1DPP4
SCHEMBL10291968 0.82 CCR1 (0.89) CCR1
SCHEMBL26616556 0.82 SMN1; SMN2 (0.67) SMN1; SMN2HPGDLMNAPKMHDAC3
SCHEMBL9503736 0.82 SMN1; SMN2 (0.67) SMN1; SMN2HPGDLMNAPKMHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232849-B1 PYRROLIDINEAMIDE DERIVATIVE OF ACYLAMINO ACID, PHARMACEUTICAL COMPOSITION AND USE SUNTORY LIMITED (JP) 1993-05-05 EP disclosed
US-5198458-A Pyrrolidineamide derivatives of acylamino acid and pharmaceutical composition containing the same SUNTORY LIMITED (JP) 1993-03-30 US disclosed
US-4826870-A CURING AMNESIA SUNTORY LIMITED (JP) 1989-05-02 US disclosed
EP-0232849-A2 Pyrrolidineamide derivative of acylamino acid, pharmaceutical composition and use SUNTORY LIMITED (JP) 1987-08-19 EP disclosed