SCHEMBL6228700

SCHEMBL6228700

OCn1ccc2c[c]ccc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.35
CCND1 P24385 4/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL1450476 0.85 CDK4 (0.41) CDK4CCND1KMT2ALMNA
SCHEMBL16719844 0.82 CDK4 (0.44) CDK4CCND1LMNA
SCHEMBL189124 0.81 CDK4 (0.35) CDK4CCND1TUBB4ATUBBTUBA3C
SCHEMBL1660960 0.79 KMT2A (0.60) KMT2ALMNA
SCHEMBL27382849 0.78 CDK4 (0.41) CDK4CCND1LMNA
SCHEMBL694594 0.78 CDK4 (0.41) CDK4CCND1LMNA
SCHEMBL5797648 0.78 LMNA (0.43) CDK4CCND1KMT2ALMNA
SCHEMBL6229841 0.77 HTR2C (0.41)
SCHEMBL16719793 0.77 HTR2A (0.40) CDK4CCND1
SCHEMBL6231638 0.77 HTR2C (0.33) CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed